5-amino-2-chloropyridine-4-carboxylic acid - CAS 58483-95-7
Catalog: |
BB030058 |
Product Name: |
5-amino-2-chloropyridine-4-carboxylic acid |
CAS: |
58483-95-7 |
Synonyms: |
5-amino-2-chloro-4-pyridinecarboxylic acid; 5-amino-2-chloropyridine-4-carboxylic acid |
IUPAC Name: | 5-amino-2-chloropyridine-4-carboxylic acid |
Description: | 5-amino-2-chloropyridine-4-carboxylic acid (CAS# 58483-95-7) is a useful synthetic intermediate. It can be used to prepare inhibitors of the EGFr and c-erbB-2. It can also be used to synthesise modulators of GHSr-1a for the treatment of type II diabetes and obesity. |
Molecular Weight: | 172.57 |
Molecular Formula: | C6H5ClN2O2 |
Canonical SMILES: | C1=C(C(=CN=C1Cl)N)C(=O)O |
InChI: | InChI=1S/C6H5ClN2O2/c7-5-1-3(6(10)11)4(8)2-9-5/h1-2H,8H2,(H,10,11) |
InChI Key: | WCZUTMZMEAPPIX-UHFFFAOYSA-N |
Boiling Point: | 514.41 °C at 760 mmHg |
Purity: | 97.0 % |
Density: | 1.577 g/cm3 |
MDL: | MFCD06659499 |
LogP: | 1.59660 |
GHS Hazard Statement: | H302+H312+H332 (33.33%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
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Complexity: | 165 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 172.0039551 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 172.0039551 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 76.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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