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

C8H4F5NO4 — CID 118842969

IUPAC2-(difluoromethyl)-5-hydroxy-4-(trifluoromethoxy)pyridine-3-carboxylic acid
SMILESO=C(O)c1c(C(F)F)ncc(O)c1OC(F)(F)F
InChIInChI=1S/C8H4F5NO4/c9-6(10)4-3(7(16)17)5(2(15)1-14-4)18-8(11,12)13/h1,6,15H,(H,16,17)
InChIKeyJWZPUNSZVIOJTJ-UHFFFAOYSA-N
MW273.11 g/mol
LogP2.32
Rot. Bonds3

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

2-(difluoromethyl)-5-hydroxy-4-(trifluoromethoxy)pyridine-3-carboxylic acid (PubChem CID 118842969) has the molecular formula C8H4F5NO4 and a molecular weight of 273.11 g/mol. Its IUPAC name is 2-(difluoromethyl)-5-hydroxy-4-(trifluoromethoxy)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(difluoromethyl)-5-hydroxy-4-(trifluoromethoxy)pyridine-3-carboxylic acid
PubChem CID118842969
Molecular FormulaC8H4F5NO4
Molecular Weight273.11 g/mol
Exact Mass273.01
IUPAC Name2-(difluoromethyl)-5-hydroxy-4-(trifluoromethoxy)pyridine-3-carboxylic acid
SMILESO=C(O)c1c(C(F)F)ncc(O)c1OC(F)(F)F
InChIInChI=1S/C8H4F5NO4/c9-6(10)4-3(7(16)17)5(2(15)1-14-4)18-8(11,12)13/h1,6,15H,(H,16,17)
InChIKeyJWZPUNSZVIOJTJ-UHFFFAOYSA-N
XLogP2.32
TPSA79.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.11
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(difluoromethyl)-5-iodo-4-(trifluoromethoxy)pyridine-3-carboxylic acid
CID 118826106
5-(bromomethyl)-2-(difluoromethyl)-4-(trifluoromethoxy)pyridine-3-carboxylic acid
CID 134672296
5-(aminomethyl)-2-(difluoromethyl)-3-(trifluoromethoxy)pyridine-4-carboxylic acid
CID 134668983
methyl 2-(difluoromethyl)-5-hydroxy-3-(trifluoromethoxy)pyridine-4-carboxylate
CID 134660809
4-(aminomethyl)-6-(difluoromethyl)-5-(trifluoromethoxy)pyridin-3-ol
CID 118801499
2-(difluoromethyl)-3-methyl-5-(trifluoromethoxy)pyridine-4-carboxylic acid
CID 118854325
6-(difluoromethyl)-4-iodo-5-(trifluoromethoxy)pyridine-3-carboxylic acid
CID 118803856
2-(difluoromethyl)-4-methoxy-5-(trifluoromethyl)pyridine-3-carboxylic acid
CID 118826032
2-(difluoromethyl)-4,5-dimethoxypyridine-3-carboxylic acid
CID 130100978
5-(difluoromethyl)-3-hydroxy-4-(trifluoromethoxy)pyridine-2-carboxylic acid
CID 134677793
3-(aminomethyl)-2-(difluoromethyl)-5-hydroxypyridine-4-carboxylic acid
CID 133102626
2-(bromomethyl)-5-(difluoromethyl)-3-(trifluoromethoxy)pyridine-4-carboxylic acid
CID 118827001

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-5-hydroxy-4-(trifluoromethoxy)pyridine-3-carboxylic acid?
The IUPAC name of 2-(difluoromethyl)-5-hydroxy-4-(trifluoromethoxy)pyridine-3-carboxylic acid (CID 118842969) is 2-(difluoromethyl)-5-hydroxy-4-(trifluoromethoxy)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(difluoromethyl)-5-hydroxy-4-(trifluoromethoxy)pyridine-3-carboxylic acid?
The canonical SMILES for 2-(difluoromethyl)-5-hydroxy-4-(trifluoromethoxy)pyridine-3-carboxylic acid is O=C(O)c1c(C(F)F)ncc(O)c1OC(F)(F)F.
What is the InChIKey of 2-(difluoromethyl)-5-hydroxy-4-(trifluoromethoxy)pyridine-3-carboxylic acid?
The InChIKey is JWZPUNSZVIOJTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F5NO4/c9-6(10)4-3(7(16)17)5(2(15)1-14-4)18-8(11,12)13/h1,6,15H,(H,16,17).
What are the key properties of 2-(difluoromethyl)-5-hydroxy-4-(trifluoromethoxy)pyridine-3-carboxylic acid?
2-(difluoromethyl)-5-hydroxy-4-(trifluoromethoxy)pyridine-3-carboxylic acid has a molecular weight of 273.11 g/mol, XLogP of 2.32, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-5-hydroxy-4-(trifluoromethoxy)pyridine-3-carboxylic acid is sourced from PubChem (CID 118842969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).