2-Chloro-5-methylnicotinic acid - CAS 66909-30-6
Catalog: |
BB033141 |
Product Name: |
2-Chloro-5-methylnicotinic acid |
CAS: |
66909-30-6 |
Synonyms: |
2-chloro-5-methylpyridine-3-carboxylic acid |
IUPAC Name: | 2-chloro-5-methylpyridine-3-carboxylic acid |
Description: | 2-Chloro-5-methylnicotinic acid (CAS# 66909-30-6) is a useful research chemical. |
Molecular Weight: | 171.58 |
Molecular Formula: | C7H6ClNO2 |
Canonical SMILES: | CC1=CN=C(C(=C1)C(=O)O)Cl |
InChI: | InChI=1S/C7H6ClNO2/c1-4-2-5(7(10)11)6(8)9-3-4/h2-3H,1H3,(H,10,11) |
InChI Key: | HGTOSTXLRLIKCJ-UHFFFAOYSA-N |
Boiling Point: | 331.175 ℃ at 760 mmHg |
Purity: | 95 % |
Density: | 1.39 g/cm3 |
MDL: | MFCD07375371 |
LogP: | 1.74160 |
GHS Hazard Statement: | H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112574199-A | Heterocyclic compounds as Kras-G12C inhibitors | 20200520 |
CN-112574199-B | Heterocyclic compounds as Kras-G12C inhibitors | 20200520 |
US-2019367530-A1 | Thienopyranones and Furanopyranones as Kinase, Bromodomain, and Checkpoint Inhibitors | 20170127 |
US-2019112292-A1 | Novel n-[(heteroaryloxy)propanyl]heteroaryl carboxamides | 20160415 |
WO-2017178344-A1 | Novel n-[(heteroaryloxy)propanyl]heteroaryl carboxamides | 20160415 |
Complexity: | 163 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 171.0087061 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 171.0087061 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 50.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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