Name: Name:2-Pyridinecarboxylic acid, 3-chloro-1,6-dihydro-6-oxo-, methyl ester
Brand: Angene
SKU: AG0014VN
Rating: 90 (10 reviews)

2-Pyridinecarboxylic acid, 3-chloro-1,6-dihydro-6-oxo-, methyl ester

CAS No.:

1214361-05-3

Catalog Number:

AG0014VN

Molecular Formula:

C7H6ClNO3

Molecular Weight:

187.5804

Catalog Number:

AG0014VN

Chemical Name:

2-Pyridinecarboxylic acid, 3-chloro-1,6-dihydro-6-oxo-, methyl ester

CAS Number:

1214361-05-3

Molecular Formula:

C7H6ClNO3

Molecular Weight:

187.5804

IUPAC Name:

methyl 3-chloro-6-oxo-1H-pyridine-2-carboxylate

InChI:

InChI=1S/C7H6ClNO3/c1-12-7(11)6-4(8)2-3-5(10)9-6/h2-3H,1H3,(H,9,10)

InChI Key:

XEWDWIXGFRPFOY-UHFFFAOYSA-N

SMILES:

COC(=O)c1c(Cl)ccc(=O)[nH]1

Complexity:

293

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

187.004g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

187.579g/mol

Monoisotopic Mass:

187.004g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

55.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.6