Name: Name:2-Pyridinecarboxylic acid, 6-chloro-5-cyano-, methyl ester
Brand: Angene
SKU: AG000NNE
Rating: 90 (10 reviews)

2-Pyridinecarboxylic acid, 6-chloro-5-cyano-, methyl ester

CAS No.:

1254163-81-9

Catalog Number:

AG000NNE

Molecular Formula:

C8H5ClN2O2

Molecular Weight:

196.5905

Catalog Number:

AG000NNE

Chemical Name:

2-Pyridinecarboxylic acid, 6-chloro-5-cyano-, methyl ester

CAS Number:

1254163-81-9

Molecular Formula:

C8H5ClN2O2

Molecular Weight:

196.5905

MDL Number:

MFCD18632617

IUPAC Name:

methyl 6-chloro-5-cyanopyridine-2-carboxylate

InChI:

InChI=1S/C8H5ClN2O2/c1-13-8(12)6-3-2-5(4-10)7(9)11-6/h2-3H,1H3

InChI Key:

KYWVRBNZSCWZMY-UHFFFAOYSA-N

SMILES:

COC(=O)c1ccc(c(n1)Cl)C#N

Complexity:

248

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

196.004g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

196.59g/mol

Monoisotopic Mass:

196.004g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

63A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.7