2-oxo-1-(3,3,3-trifluoropropyl)pyridine-4-carboxylic acid

C9H8F3NO3 — CID 59354924

IUPAC2-oxo-1-(3,3,3-trifluoropropyl)pyridine-4-carboxylic acid
SMILESO=C(O)c1ccn(CCC(F)(F)F)c(=O)c1
InChIInChI=1S/C9H8F3NO3/c10-9(11,12)2-4-13-3-1-6(8(15)16)5-7(13)14/h1,3,5H,2,4H2,(H,15,16)
InChIKeyHMVZJFMWDFQOCW-UHFFFAOYSA-N
MW235.16 g/mol
LogP1.50
Rot. Bonds3

About 2-oxo-1-(3,3,3-trifluoropropyl)pyridine-4-carboxylic acid

2-oxo-1-(3,3,3-trifluoropropyl)pyridine-4-carboxylic acid (PubChem CID 59354924) has the molecular formula C9H8F3NO3 and a molecular weight of 235.16 g/mol. Its IUPAC name is 2-oxo-1-(3,3,3-trifluoropropyl)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-oxo-1-(3,3,3-trifluoropropyl)pyridine-4-carboxylic acid
PubChem CID59354924
Molecular FormulaC9H8F3NO3
Molecular Weight235.16 g/mol
Exact Mass235.05
IUPAC Name2-oxo-1-(3,3,3-trifluoropropyl)pyridine-4-carboxylic acid
SMILESO=C(O)c1ccn(CCC(F)(F)F)c(=O)c1
InChIInChI=1S/C9H8F3NO3/c10-9(11,12)2-4-13-3-1-6(8(15)16)5-7(13)14/h1,3,5H,2,4H2,(H,15,16)
InChIKeyHMVZJFMWDFQOCW-UHFFFAOYSA-N
XLogP1.50
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.16
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-Oxo-5-(trifluoromethyl)pyridin-1(2H)-yl)propanoic acid
CID 2737090
1-(Difluoromethyl)-2-oxo-1,2-dihydropyridine-4-carboxylic acid
CID 97619175
1-(Difluoromethyl)-6-oxo-1,6-dihydropyridine-3-carboxylic acid
CID 21885875
1-Ethyl-2-oxo-1,2-dihydropyridine-4-carboxylic acid
CID 37134599
2-Oxo-1-(propan-2-yl)-1,2-dihydropyridine-4-carboxylic acid
CID 44600733
1,3-Dimethyl-2-oxopyridine-4-carboxylic acid
CID 59067458
1-Ethyl-5-fluoro-6-oxopyridine-3-carboxylic acid
CID 21885833
1-(2,2-Difluoroethyl)-6-oxo-1,6-dihydropyridine-3-carboxylic acid
CID 21885835
1-(Difluoromethyl)-5-methyl-6-oxopyridine-3-carboxylic acid
CID 21885939
1-(3-Fluoropropyl)-1,2-dihydro-2-oxo-4-pyridinecarboxylic acid
CID 44600577
2-Oxo-1-(4,4,4-trifluoro-2-methylbutyl)pyridine-4-carboxylic acid
CID 44600578
1-(2-Fluoroethyl)-2-oxopyridine-4-carboxylic acid
CID 44600737

Frequently Asked Questions

What is the IUPAC name of 2-oxo-1-(3,3,3-trifluoropropyl)pyridine-4-carboxylic acid?
The IUPAC name of 2-oxo-1-(3,3,3-trifluoropropyl)pyridine-4-carboxylic acid (CID 59354924) is 2-oxo-1-(3,3,3-trifluoropropyl)pyridine-4-carboxylic acid.
What is the SMILES notation for 2-oxo-1-(3,3,3-trifluoropropyl)pyridine-4-carboxylic acid?
The canonical SMILES for 2-oxo-1-(3,3,3-trifluoropropyl)pyridine-4-carboxylic acid is O=C(O)c1ccn(CCC(F)(F)F)c(=O)c1.
What is the InChIKey of 2-oxo-1-(3,3,3-trifluoropropyl)pyridine-4-carboxylic acid?
The InChIKey is HMVZJFMWDFQOCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3NO3/c10-9(11,12)2-4-13-3-1-6(8(15)16)5-7(13)14/h1,3,5H,2,4H2,(H,15,16).
What are the key properties of 2-oxo-1-(3,3,3-trifluoropropyl)pyridine-4-carboxylic acid?
2-oxo-1-(3,3,3-trifluoropropyl)pyridine-4-carboxylic acid has a molecular weight of 235.16 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-1-(3,3,3-trifluoropropyl)pyridine-4-carboxylic acid is sourced from PubChem (CID 59354924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).