2-cyano-6-(difluoromethyl)-5-methoxypyridine-3-carboxylic acid

C9H6F2N2O3 — CID 130078142

IUPAC2-cyano-6-(difluoromethyl)-5-methoxypyridine-3-carboxylic acid
SMILESCOc1cc(C(=O)O)c(C#N)nc1C(F)F
InChIInChI=1S/C9H6F2N2O3/c1-16-6-2-4(9(14)15)5(3-12)13-7(6)8(10)11/h2,8H,1H3,(H,14,15)
InChIKeyWBFWBYIGTOIRCW-UHFFFAOYSA-N
MW228.15 g/mol
LogP1.60
Rot. Bonds3

About 2-cyano-6-(difluoromethyl)-5-methoxypyridine-3-carboxylic acid

2-cyano-6-(difluoromethyl)-5-methoxypyridine-3-carboxylic acid (PubChem CID 130078142) has the molecular formula C9H6F2N2O3 and a molecular weight of 228.15 g/mol. Its IUPAC name is 2-cyano-6-(difluoromethyl)-5-methoxypyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-cyano-6-(difluoromethyl)-5-methoxypyridine-3-carboxylic acid
PubChem CID130078142
Molecular FormulaC9H6F2N2O3
Molecular Weight228.15 g/mol
Exact Mass228.03
IUPAC Name2-cyano-6-(difluoromethyl)-5-methoxypyridine-3-carboxylic acid
SMILESCOc1cc(C(=O)O)c(C#N)nc1C(F)F
InChIInChI=1S/C9H6F2N2O3/c1-16-6-2-4(9(14)15)5(3-12)13-7(6)8(10)11/h2,8H,1H3,(H,14,15)
InChIKeyWBFWBYIGTOIRCW-UHFFFAOYSA-N
XLogP1.60
TPSA83.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.15
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(difluoromethyl)-3-(hydroxymethyl)-5-methoxypyridine-2-carbonitrile
CID 119001977
5-bromo-6-cyano-2-(difluoromethyl)pyridine-3-carboxylic acid
CID 130109029
6-cyano-3-(difluoromethyl)-5-methoxypyridine-2-carboxylic acid
CID 130078133
6-cyano-5-(difluoromethyl)-3-methoxypyridine-2-carboxylic acid
CID 130078126
2-(difluoromethyl)-5-methoxy-6-nitropyridine-3-carboxylic acid
CID 118826363
2-cyano-6-(difluoromethyl)-5-nitropyridine-3-carboxylic acid
CID 134685781
6-(difluoromethyl)-5-methoxy-2-methylpyridine-3-carbonitrile
CID 130077908
5-(cyanomethyl)-6-(difluoromethyl)-3-methoxypyridine-2-carbonitrile
CID 134664614
5-cyano-6-(difluoromethyl)-3-methoxypyridine-2-carbonyl chloride
CID 134685714
2-chloro-6-(difluoromethyl)-5-methoxypyridine-3-carbonitrile
CID 119019871
6-chloro-3-(difluoromethyl)-5-methoxypyridine-2-carbonitrile
CID 119010171
2-[2-bromo-6-(difluoromethyl)-5-methoxy-3-pyridinyl]acetic acid
CID 119021742

Frequently Asked Questions

What is the IUPAC name of 2-cyano-6-(difluoromethyl)-5-methoxypyridine-3-carboxylic acid?
The IUPAC name of 2-cyano-6-(difluoromethyl)-5-methoxypyridine-3-carboxylic acid (CID 130078142) is 2-cyano-6-(difluoromethyl)-5-methoxypyridine-3-carboxylic acid.
What is the SMILES notation for 2-cyano-6-(difluoromethyl)-5-methoxypyridine-3-carboxylic acid?
The canonical SMILES for 2-cyano-6-(difluoromethyl)-5-methoxypyridine-3-carboxylic acid is COc1cc(C(=O)O)c(C#N)nc1C(F)F.
What is the InChIKey of 2-cyano-6-(difluoromethyl)-5-methoxypyridine-3-carboxylic acid?
The InChIKey is WBFWBYIGTOIRCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F2N2O3/c1-16-6-2-4(9(14)15)5(3-12)13-7(6)8(10)11/h2,8H,1H3,(H,14,15).
What are the key properties of 2-cyano-6-(difluoromethyl)-5-methoxypyridine-3-carboxylic acid?
2-cyano-6-(difluoromethyl)-5-methoxypyridine-3-carboxylic acid has a molecular weight of 228.15 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-6-(difluoromethyl)-5-methoxypyridine-3-carboxylic acid is sourced from PubChem (CID 130078142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).