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

C9H6F2N2O3 — CID 130078133

IUPAC6-cyano-3-(difluoromethyl)-5-methoxypyridine-2-carboxylic acid
SMILESCOc1cc(C(F)F)c(C(=O)O)nc1C#N
InChIInChI=1S/C9H6F2N2O3/c1-16-6-2-4(8(10)11)7(9(14)15)13-5(6)3-12/h2,8H,1H3,(H,14,15)
InChIKeySWMQPXWBUIPORB-UHFFFAOYSA-N
MW228.15 g/mol
LogP1.60
Rot. Bonds3

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

6-cyano-3-(difluoromethyl)-5-methoxypyridine-2-carboxylic acid (PubChem CID 130078133) has the molecular formula C9H6F2N2O3 and a molecular weight of 228.15 g/mol. Its IUPAC name is 6-cyano-3-(difluoromethyl)-5-methoxypyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-cyano-3-(difluoromethyl)-5-methoxypyridine-2-carboxylic acid
PubChem CID130078133
Molecular FormulaC9H6F2N2O3
Molecular Weight228.15 g/mol
Exact Mass228.03
IUPAC Name6-cyano-3-(difluoromethyl)-5-methoxypyridine-2-carboxylic acid
SMILESCOc1cc(C(F)F)c(C(=O)O)nc1C#N
InChIInChI=1S/C9H6F2N2O3/c1-16-6-2-4(8(10)11)7(9(14)15)13-5(6)3-12/h2,8H,1H3,(H,14,15)
InChIKeySWMQPXWBUIPORB-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-cyano-5-(difluoromethyl)-3-methoxypyridine-2-carboxylic acid
CID 130078126
2-cyano-6-(difluoromethyl)-5-methoxypyridine-3-carboxylic acid
CID 130078142
6-(chloromethyl)-3-(difluoromethyl)-5-methoxypyridine-2-carboxylic acid
CID 118804374
6-chloro-3-(difluoromethyl)-5-methoxypyridine-2-carbonitrile
CID 119010171
3-(difluoromethyl)-5-methoxy-6-(trifluoromethyl)pyridine-2-carbonitrile
CID 134669759
4-cyano-2-(difluoromethyl)-6-methoxybenzoic acid
CID 118827832
6-cyano-3-(difluoromethyl)-5-fluoropyridine-2-carbonyl chloride
CID 134675135
3-(difluoromethyl)-5-methoxy-6-methylpyridine-2-carboxamide
CID 133098966
methyl 6-cyano-5-(difluoromethyl)-3-nitropyridine-2-carboxylate
CID 133107481
6-bromo-3-(difluoromethyl)-5-methoxypyridine-2-carbonyl chloride
CID 134670863
6-chloro-3-(difluoromethyl)-5-methoxypyridine-2-carboxamide
CID 119005525
6-bromo-3-(difluoromethyl)-5-methoxypyridine-2-carboxamide
CID 118992492

Frequently Asked Questions

What is the IUPAC name of 6-cyano-3-(difluoromethyl)-5-methoxypyridine-2-carboxylic acid?
The IUPAC name of 6-cyano-3-(difluoromethyl)-5-methoxypyridine-2-carboxylic acid (CID 130078133) is 6-cyano-3-(difluoromethyl)-5-methoxypyridine-2-carboxylic acid.
What is the SMILES notation for 6-cyano-3-(difluoromethyl)-5-methoxypyridine-2-carboxylic acid?
The canonical SMILES for 6-cyano-3-(difluoromethyl)-5-methoxypyridine-2-carboxylic acid is COc1cc(C(F)F)c(C(=O)O)nc1C#N.
What is the InChIKey of 6-cyano-3-(difluoromethyl)-5-methoxypyridine-2-carboxylic acid?
The InChIKey is SWMQPXWBUIPORB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F2N2O3/c1-16-6-2-4(8(10)11)7(9(14)15)13-5(6)3-12/h2,8H,1H3,(H,14,15).
What are the key properties of 6-cyano-3-(difluoromethyl)-5-methoxypyridine-2-carboxylic acid?
6-cyano-3-(difluoromethyl)-5-methoxypyridine-2-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 6-cyano-3-(difluoromethyl)-5-methoxypyridine-2-carboxylic acid is sourced from PubChem (CID 130078133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).