3-(difluoromethyl)-5-hydroxy-4-(trifluoromethyl)pyridine-2-carboxylic acid

C8H4F5NO3 — CID 133102250

IUPAC3-(difluoromethyl)-5-hydroxy-4-(trifluoromethyl)pyridine-2-carboxylic acid
SMILESO=C(O)c1ncc(O)c(C(F)(F)F)c1C(F)F
InChIInChI=1S/C8H4F5NO3/c9-6(10)3-4(8(11,12)13)2(15)1-14-5(3)7(16)17/h1,6,15H,(H,16,17)
InChIKeyQKLLZGXVIRETMM-UHFFFAOYSA-N
MW257.11 g/mol
LogP2.44
Rot. Bonds2

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

3-(difluoromethyl)-5-hydroxy-4-(trifluoromethyl)pyridine-2-carboxylic acid (PubChem CID 133102250) has the molecular formula C8H4F5NO3 and a molecular weight of 257.11 g/mol. Its IUPAC name is 3-(difluoromethyl)-5-hydroxy-4-(trifluoromethyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-(difluoromethyl)-5-hydroxy-4-(trifluoromethyl)pyridine-2-carboxylic acid
PubChem CID133102250
Molecular FormulaC8H4F5NO3
Molecular Weight257.11 g/mol
Exact Mass257.01
IUPAC Name3-(difluoromethyl)-5-hydroxy-4-(trifluoromethyl)pyridine-2-carboxylic acid
SMILESO=C(O)c1ncc(O)c(C(F)(F)F)c1C(F)F
InChIInChI=1S/C8H4F5NO3/c9-6(10)3-4(8(11,12)13)2(15)1-14-5(3)7(16)17/h1,6,15H,(H,16,17)
InChIKeyQKLLZGXVIRETMM-UHFFFAOYSA-N
XLogP2.44
TPSA70.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.11
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-5-(difluoromethyl)-3-(trifluoromethyl)pyridine-2-carboxylic acid
CID 133084536
6-chloro-4-(difluoromethyl)-5-(trifluoromethyl)pyridin-3-ol
CID 119000260
4,5-dichloro-3-(difluoromethyl)pyridine-2-carboxylic acid
CID 130099404
4,5-dibromo-3-(difluoromethyl)pyridine-2-carboxylic acid
CID 118800112
4-chloro-3-(difluoromethyl)-5-(trifluoromethoxy)pyridine-2-carboxylic acid
CID 118805459
4-(difluoromethyl)-3-methoxy-5-(trifluoromethyl)pyridine-2-carboxylic acid
CID 118812541
4-amino-5-(bromomethyl)-3-(difluoromethyl)pyridine-2-carboxylic acid
CID 130107280
3-bromo-4-(difluoromethyl)-5-hydroxypyridine-2-carbonyl chloride
CID 130110573
3-(difluoromethyl)-5-(trifluoromethyl)pyridine-2-carboxylic acid
CID 130098534
3-(difluoromethyl)-4-methyl-5-nitropyridine-2-carboxylic acid
CID 130088338
4-(difluoromethyl)-5-iodo-3-(trifluoromethoxy)pyridine-2-carboxylic acid
CID 118824021
5-(bromomethyl)-3-(difluoromethyl)-4-(trifluoromethoxy)pyridine-2-carboxylic acid
CID 134670456

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-5-hydroxy-4-(trifluoromethyl)pyridine-2-carboxylic acid?
The IUPAC name of 3-(difluoromethyl)-5-hydroxy-4-(trifluoromethyl)pyridine-2-carboxylic acid (CID 133102250) is 3-(difluoromethyl)-5-hydroxy-4-(trifluoromethyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 3-(difluoromethyl)-5-hydroxy-4-(trifluoromethyl)pyridine-2-carboxylic acid?
The canonical SMILES for 3-(difluoromethyl)-5-hydroxy-4-(trifluoromethyl)pyridine-2-carboxylic acid is O=C(O)c1ncc(O)c(C(F)(F)F)c1C(F)F.
What is the InChIKey of 3-(difluoromethyl)-5-hydroxy-4-(trifluoromethyl)pyridine-2-carboxylic acid?
The InChIKey is QKLLZGXVIRETMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F5NO3/c9-6(10)3-4(8(11,12)13)2(15)1-14-5(3)7(16)17/h1,6,15H,(H,16,17).
What are the key properties of 3-(difluoromethyl)-5-hydroxy-4-(trifluoromethyl)pyridine-2-carboxylic acid?
3-(difluoromethyl)-5-hydroxy-4-(trifluoromethyl)pyridine-2-carboxylic acid has a molecular weight of 257.11 g/mol, XLogP of 2.44, 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-4-(trifluoromethyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 133102250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).