Name: Name:2-chloro-6-isobutyl-nicotinic acid methyl ester
Brand: Angene
SKU: AG01BJCQ
Rating: 90 (10 reviews)

2-chloro-6-isobutyl-nicotinic acid methyl ester

CAS No.:

69945-92-2

Catalog Number:

AG01BJCQ

Molecular Formula:

C11H14ClNO2

Molecular Weight:

227.6874

Catalog Number:

AG01BJCQ

Chemical Name:

2-chloro-6-isobutyl-nicotinic acid methyl ester

CAS Number:

69945-92-2

Molecular Formula:

C11H14ClNO2

Molecular Weight:

227.6874

MDL Number:

MFCD22418375

IUPAC Name:

methyl 2-chloro-6-(2-methylpropyl)pyridine-3-carboxylate

InChI:

InChI=1S/C11H14ClNO2/c1-7(2)6-8-4-5-9(10(12)13-8)11(14)15-3/h4-5,7H,6H2,1-3H3

InChI Key:

ZJFAJXJZQQAVKG-UHFFFAOYSA-N

SMILES:

COC(=O)c1ccc(nc1Cl)CC(C)C

Complexity:

221

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

227.071g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

227.688g/mol

Monoisotopic Mass:

227.071g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

39.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.3