6-Methylpyridine-3-carboxylic acid - CAS 3222-47-7
Catalog: |
BB021229 |
Product Name: |
6-Methylpyridine-3-carboxylic acid |
CAS: |
3222-47-7 |
Synonyms: |
6-methylpyridine-3-carboxylic acid |
IUPAC Name: | 6-methylpyridine-3-carboxylic acid |
Description: | A degradation product of Nicotinic acid (N429250). An impurity of Nicotinic acid. |
Molecular Weight: | 137.14 |
Molecular Formula: | C7H7NO2 |
Canonical SMILES: | CC1=NC=C(C=C1)C(=O)O |
InChI: | InChI=1S/C7H7NO2/c1-5-2-3-6(4-8-5)7(9)10/h2-4H,1H3,(H,9,10) |
InChI Key: | RZOKQIPOABEQAM-UHFFFAOYSA-N |
Boiling Point: | 296.2 °C at 760 mmHg |
Density: | 1.23 g/cm3 |
MDL: | MFCD00006341 |
LogP: | 1.08820 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113501783-A | Erianin heterocyclic derivative and preparation method and application thereof | 20210630 |
CN-112028878-A | Polyhydroisoquinoline derivative and preparation method and medical application thereof | 20200911 |
KR-20200021494-A | Novel nucleoside or nucleotide derivatives, and use thereof | 20200220 |
KR-102145025-B1 | Novel nucleoside or nucleotide derivatives, and use thereof | 20200220 |
JP-2021114435-A | Non-aqueous electrolyte additive, non-aqueous electrolyte and non-aqueous electrolyte secondary battery containing it | 20200121 |
PMID | Publication Date | Title | Journal |
22065729 | 20110901 | 6-Methyl-nicotinic acid | Acta crystallographica. Section E, Structure reports online |
21265114 | 20101101 | [Determination of nicacid and its metabolites in human plasma by HPLC-MS/MS] | Sichuan da xue xue bao. Yi xue ban = Journal of Sichuan University. Medical science edition |
18816397 | 20080924 | Stability of methylnicotinate in aqueous solution as utilized in the 'niacin patch test' | BMC research notes |
18057610 | 20071201 | A new coordination mode of 6-methylnicotinic acid in trans-tetraaquabis(6-methylpyridine-3-carboxylato-kappaO)cobalt(II) tetrahydrate | Acta crystallographica. Section C, Crystal structure communications |
14646316 | 20031201 | Preparation of deuterated methyl and dimethyl substituted nicotinoylating agents for derivatization of the N-terminal of protein | Chemical & pharmaceutical bulletin |
Complexity: | 136 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 137.047678466 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 137.047678466 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 50.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.8 |
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