6-cyano-2-(difluoromethyl)-3-hydroxypyridine-4-carboxylic acid

C8H4F2N2O3 — CID 130076877

IUPAC6-cyano-2-(difluoromethyl)-3-hydroxypyridine-4-carboxylic acid
SMILESN#Cc1cc(C(=O)O)c(O)c(C(F)F)n1
InChIInChI=1S/C8H4F2N2O3/c9-7(10)5-6(13)4(8(14)15)1-3(2-11)12-5/h1,7,13H,(H,14,15)
InChIKeyBRQGKJKQPXWBBP-UHFFFAOYSA-N
MW214.13 g/mol
LogP1.29
Rot. Bonds2

About 6-cyano-2-(difluoromethyl)-3-hydroxypyridine-4-carboxylic acid

6-cyano-2-(difluoromethyl)-3-hydroxypyridine-4-carboxylic acid (PubChem CID 130076877) has the molecular formula C8H4F2N2O3 and a molecular weight of 214.13 g/mol. Its IUPAC name is 6-cyano-2-(difluoromethyl)-3-hydroxypyridine-4-carboxylic acid.

Molecular Properties

Compound Name6-cyano-2-(difluoromethyl)-3-hydroxypyridine-4-carboxylic acid
PubChem CID130076877
Molecular FormulaC8H4F2N2O3
Molecular Weight214.13 g/mol
Exact Mass214.02
IUPAC Name6-cyano-2-(difluoromethyl)-3-hydroxypyridine-4-carboxylic acid
SMILESN#Cc1cc(C(=O)O)c(O)c(C(F)F)n1
InChIInChI=1S/C8H4F2N2O3/c9-7(10)5-6(13)4(8(14)15)1-3(2-11)12-5/h1,7,13H,(H,14,15)
InChIKeyBRQGKJKQPXWBBP-UHFFFAOYSA-N
XLogP1.29
TPSA94.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.13
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-6-cyano-2-(difluoromethyl)pyridine-4-carbonyl chloride
CID 134674147
6-(chloromethyl)-2-(difluoromethyl)-3-hydroxypyridine-4-carboxylic acid
CID 130085231
2-(difluoromethyl)-3-hydroxy-6-nitropyridine-4-carboxylic acid
CID 118831588
5-cyano-6-(difluoromethyl)-2-fluoropyridine-3-carboxylic acid
CID 130076275
6-cyano-2-(difluoromethyl)-3-methoxypyridine-4-carbonyl chloride
CID 134685892
2-[4-(aminomethyl)-6-cyano-2-(difluoromethyl)-3-pyridinyl]acetic acid
CID 118801084
2-[4-(chloromethyl)-6-cyano-2-(difluoromethyl)-3-pyridinyl]acetic acid
CID 133106535
2-bromo-5-cyano-6-(difluoromethyl)pyridine-3-carboxylic acid
CID 119004230
5-bromo-6-cyano-2-(difluoromethyl)pyridine-3-carboxylic acid
CID 130109029
6-cyano-2-(difluoromethyl)pyridine-3-carboxamide
CID 130096117
5-cyano-2-(difluoromethyl)-6-(trifluoromethyl)pyridine-3-carboxylic acid
CID 133106197
2-cyano-6-(difluoromethyl)-5-methoxypyridine-3-carboxylic acid
CID 130078142

Frequently Asked Questions

What is the IUPAC name of 6-cyano-2-(difluoromethyl)-3-hydroxypyridine-4-carboxylic acid?
The IUPAC name of 6-cyano-2-(difluoromethyl)-3-hydroxypyridine-4-carboxylic acid (CID 130076877) is 6-cyano-2-(difluoromethyl)-3-hydroxypyridine-4-carboxylic acid.
What is the SMILES notation for 6-cyano-2-(difluoromethyl)-3-hydroxypyridine-4-carboxylic acid?
The canonical SMILES for 6-cyano-2-(difluoromethyl)-3-hydroxypyridine-4-carboxylic acid is N#Cc1cc(C(=O)O)c(O)c(C(F)F)n1.
What is the InChIKey of 6-cyano-2-(difluoromethyl)-3-hydroxypyridine-4-carboxylic acid?
The InChIKey is BRQGKJKQPXWBBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F2N2O3/c9-7(10)5-6(13)4(8(14)15)1-3(2-11)12-5/h1,7,13H,(H,14,15).
What are the key properties of 6-cyano-2-(difluoromethyl)-3-hydroxypyridine-4-carboxylic acid?
6-cyano-2-(difluoromethyl)-3-hydroxypyridine-4-carboxylic acid has a molecular weight of 214.13 g/mol, XLogP of 1.29, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyano-2-(difluoromethyl)-3-hydroxypyridine-4-carboxylic acid is sourced from PubChem (CID 130076877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).