3-(difluoromethyl)-5-hydroxy-2-methylpyridine-4-carboxylic acid

C8H7F2NO3 — CID 130083946

IUPAC3-(difluoromethyl)-5-hydroxy-2-methylpyridine-4-carboxylic acid
SMILESCc1ncc(O)c(C(=O)O)c1C(F)F
InChIInChI=1S/C8H7F2NO3/c1-3-5(7(9)10)6(8(13)14)4(12)2-11-3/h2,7,12H,1H3,(H,13,14)
InChIKeyVXEDYYGBGYVKCW-UHFFFAOYSA-N
MW203.14 g/mol
LogP1.73
Rot. Bonds2

About 3-(difluoromethyl)-5-hydroxy-2-methylpyridine-4-carboxylic acid

3-(difluoromethyl)-5-hydroxy-2-methylpyridine-4-carboxylic acid (PubChem CID 130083946) has the molecular formula C8H7F2NO3 and a molecular weight of 203.14 g/mol. Its IUPAC name is 3-(difluoromethyl)-5-hydroxy-2-methylpyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-(difluoromethyl)-5-hydroxy-2-methylpyridine-4-carboxylic acid
PubChem CID130083946
Molecular FormulaC8H7F2NO3
Molecular Weight203.14 g/mol
Exact Mass203.04
IUPAC Name3-(difluoromethyl)-5-hydroxy-2-methylpyridine-4-carboxylic acid
SMILESCc1ncc(O)c(C(=O)O)c1C(F)F
InChIInChI=1S/C8H7F2NO3/c1-3-5(7(9)10)6(8(13)14)4(12)2-11-3/h2,7,12H,1H3,(H,13,14)
InChIKeyVXEDYYGBGYVKCW-UHFFFAOYSA-N
XLogP1.73
TPSA70.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.14
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(difluoromethyl)-5-hydroxy-2-iodopyridine-4-carboxylic acid
CID 130082872
4-(difluoromethyl)-5-fluoro-2-methylpyridine-3-carboxylic acid
CID 118812572
5-chloro-4-(difluoromethyl)-2-methylpyridine-3-carboxylic acid
CID 130074385
methyl 4-(difluoromethyl)-5-hydroxy-2-methylpyridine-3-carboxylate
CID 130084011
4-(difluoromethyl)-5-fluoro-6-methylpyridine-3-carboxylic acid
CID 118828922
5-(difluoromethyl)-2-methyl-3-nitropyridine-4-carboxylic acid
CID 130088351
2-bromo-4-(difluoromethyl)-5-methylpyridine-3-carboxylic acid
CID 118994788
2-amino-3-(difluoromethyl)-5-methylpyridine-4-carboxylic acid
CID 118996389
ethyl 3-(difluoromethyl)-5-fluoro-2-methylpyridine-4-carboxylate
CID 133105223
3-(aminomethyl)-2-(difluoromethyl)-5-hydroxypyridine-4-carboxylic acid
CID 133102626
ethyl 5-bromo-3-(difluoromethyl)-2-methylpyridine-4-carboxylate
CID 134685203
2-amino-3-(difluoromethyl)-5-hydroxypyridine-4-carboxamide
CID 119009453

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-5-hydroxy-2-methylpyridine-4-carboxylic acid?
The IUPAC name of 3-(difluoromethyl)-5-hydroxy-2-methylpyridine-4-carboxylic acid (CID 130083946) is 3-(difluoromethyl)-5-hydroxy-2-methylpyridine-4-carboxylic acid.
What is the SMILES notation for 3-(difluoromethyl)-5-hydroxy-2-methylpyridine-4-carboxylic acid?
The canonical SMILES for 3-(difluoromethyl)-5-hydroxy-2-methylpyridine-4-carboxylic acid is Cc1ncc(O)c(C(=O)O)c1C(F)F.
What is the InChIKey of 3-(difluoromethyl)-5-hydroxy-2-methylpyridine-4-carboxylic acid?
The InChIKey is VXEDYYGBGYVKCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F2NO3/c1-3-5(7(9)10)6(8(13)14)4(12)2-11-3/h2,7,12H,1H3,(H,13,14).
What are the key properties of 3-(difluoromethyl)-5-hydroxy-2-methylpyridine-4-carboxylic acid?
3-(difluoromethyl)-5-hydroxy-2-methylpyridine-4-carboxylic acid has a molecular weight of 203.14 g/mol, XLogP of 1.73, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-5-hydroxy-2-methylpyridine-4-carboxylic acid is sourced from PubChem (CID 130083946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).