2-Methylpyrimidine-5-carboxylic acid - CAS 5194-32-1
Catalog: |
BB027658 |
Product Name: |
2-Methylpyrimidine-5-carboxylic acid |
CAS: |
5194-32-1 |
Synonyms: |
2-methylpyrimidine-5-carboxylic acid |
IUPAC Name: | 2-methylpyrimidine-5-carboxylic acid |
Description: | 2-Methylpyrimidine-5-carboxylic acid (CAS# 5194-32-1) is used in perparation of substituted pyridazine- and pyridinecarboxamides as SCDs modulators. |
Molecular Weight: | 138.12 |
Molecular Formula: | C6H6N2O2 |
Canonical SMILES: | CC1=NC=C(C=N1)C(=O)O |
InChI: | InChI=1S/C6H6N2O2/c1-4-7-2-5(3-8-4)6(9)10/h2-3H,1H3,(H,9,10) |
InChI Key: | NMGIXZFBQPETOK-UHFFFAOYSA-N |
Boiling Point: | 292.5 °C at 760 mmHg |
Melting Point: | 203-205 °C |
Purity: | 98 % |
Density: | 1.319 g/cm3 |
MDL: | MFCD08235210 |
LogP: | 0.48320 |
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 |
KR-102178181-B1 | Novel hydrazone derivatives comprising aryl or heteroaryl group substituted at terminal amine and use thereof | 20200331 |
KR-20200076655-A | Novel hydrazone derivatives comprising aryl or heteroaryl group substituted at terminal amine and use thereof | 20200331 |
US-2020361920-A1 | Isoxazole derivatives as fxr agonists and methods of use thereof | 20190513 |
WO-2020198026-A1 | Compounds and uses thereof | 20190322 |
Complexity: | 130 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 138.042927438 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 138.042927438 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 63.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.1 |
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