Methyl 3-Amino-2-chloroisonicotinate - CAS 173435-41-1
Catalog: |
BB012921 |
Product Name: |
Methyl 3-Amino-2-chloroisonicotinate |
CAS: |
173435-41-1 |
Synonyms: |
3-amino-2-chloro-4-pyridinecarboxylic acid methyl ester; methyl 3-amino-2-chloropyridine-4-carboxylate |
IUPAC Name: | methyl 3-amino-2-chloropyridine-4-carboxylate |
Description: | Methyl 3-Amino-2-chloroisonicotinate (CAS# 173435-41-1) is a useful research chemical compound. |
Molecular Weight: | 186.60 |
Molecular Formula: | C7H7ClN2O2 |
Canonical SMILES: | COC(=O)C1=C(C(=NC=C1)Cl)N |
InChI: | InChI=1S/C7H7ClN2O2/c1-12-7(11)4-2-3-10-6(8)5(4)9/h2-3H,9H2,1H3 |
InChI Key: | KSZMBXHYSQDICN-UHFFFAOYSA-N |
Boiling Point: | 317.4 °C at 760 mmHg |
Density: | 1.384 g/cm3 |
MDL: | MFCD03411723 |
LogP: | 1.68500 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
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 |
Publication Number | Title | Priority Date |
WO-2021175199-A1 | Aromatic heterocyclic compound and application thereof in drug | 20200302 |
WO-2021169963-A1 | Aromatic compound and use thereof in preparing antineoplastic drugs | 20200224 |
WO-2021123294-A1 | Oga inhibitor compounds | 20191218 |
WO-2020239999-A1 | SMALL MOLECULE INHIBITORS OF NF-kB INDUCING KINASE | 20190531 |
US-2021300918-A1 | SMALL MOLECULE INHIBITORS OF NF-kB INDUCING KINASE | 20190531 |
Complexity: | 177 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 186.0196052 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 186.0196052 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 65.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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