Methyl 5-amino-2-chloropyridine-3-carboxylate - CAS 886435-73-0
Catalog: |
BB059451 |
Product Name: |
Methyl 5-amino-2-chloropyridine-3-carboxylate |
CAS: |
886435-73-0 |
Synonyms: |
METHYL 5-AMINO-2-CHLORONICOTINATE; METHYL 5-AMINO-2-CHLOROPYRIDINE-3-CARBOXYLATE; 3-Pyridinecarboxylic acid, 5-amino-2-chloro-, methyl ester |
IUPAC Name: | methyl 5-amino-2-chloropyridine-3-carboxylate |
Description: | Methyl 5-amino-2-chloropyridine-3-carboxylate |
Molecular Weight: | 186.6 |
Molecular Formula: | C7H7ClN2O2 |
Canonical SMILES: | COC(=O)C1=C(N=CC(=C1)N)Cl |
InChI: | InChI=1S/C7H7ClN2O2/c1-12-7(11)5-2-4(9)3-10-6(5)8/h2-3H,9H2,1H3 |
InChI Key: | LPOFXAOIWIQBFP-UHFFFAOYSA-N |
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: | 65.2Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1 |
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