3-[3-(trifluoromethyl)benzoyl]pyridine-2-carboxylic acid

C14H8F3NO3 — CID 19700744

IUPAC3-[3-(trifluoromethyl)benzoyl]pyridine-2-carboxylic acid
SMILESO=C(c1cccc(C(F)(F)F)c1)c1cccnc1C(=O)O
InChIInChI=1S/C14H8F3NO3/c15-14(16,17)9-4-1-3-8(7-9)12(19)10-5-2-6-18-11(10)13(20)21/h1-7H,(H,20,21)
InChIKeySHEAVLCYVRDDDR-UHFFFAOYSA-N
MW295.22 g/mol
LogP3.03
Rot. Bonds3

About 3-[3-(trifluoromethyl)benzoyl]pyridine-2-carboxylic acid

3-[3-(trifluoromethyl)benzoyl]pyridine-2-carboxylic acid (PubChem CID 19700744) has the molecular formula C14H8F3NO3 and a molecular weight of 295.22 g/mol. Its IUPAC name is 3-[3-(trifluoromethyl)benzoyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-[3-(trifluoromethyl)benzoyl]pyridine-2-carboxylic acid
PubChem CID19700744
Molecular FormulaC14H8F3NO3
Molecular Weight295.22 g/mol
Exact Mass295.05
IUPAC Name3-[3-(trifluoromethyl)benzoyl]pyridine-2-carboxylic acid
SMILESO=C(c1cccc(C(F)(F)F)c1)c1cccnc1C(=O)O
InChIInChI=1S/C14H8F3NO3/c15-14(16,17)9-4-1-3-8(7-9)12(19)10-5-2-6-18-11(10)13(20)21/h1-7H,(H,20,21)
InChIKeySHEAVLCYVRDDDR-UHFFFAOYSA-N
XLogP3.03
TPSA67.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.22
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-ethyl-2-pyridinyl)-[3-(trifluoromethyl)phenyl]methanone
CID 82730577
3-(3-methoxycarbonylbenzoyl)pyridine-2-carboxylic acid
CID 19700797
3-(4-fluorobenzoyl)pyridine-2-carboxylic acid
CID 10014744
[4-[3-(trifluoromethyl)benzoyl]phenyl]-[3-(trifluoromethyl)phenyl]methanone
CID 162354741
(2,3-dichlorophenyl)-[3-(trifluoromethyl)phenyl]methanone
CID 63411424
(2-fluoro-3-methylphenyl)-[3-(trifluoromethyl)phenyl]methanone
CID 114970263
pyridine-2,3-dicarboxylic acid
CID 1066
2,2,2-trifluoro-1-[3-(trifluoromethyl)phenyl]ethanone
CID 159329806
pyridine-2,3-dicarboxylic acid;hydrofluoride
CID 159031685
pyridine-2,3-dicarboxylic acid;dihydrochloride
CID 66831313
3-(3,4,5-trimethoxybenzoyl)pyridine-2-carboxylic acid
CID 139864316
(2,4-dimethylphenyl)-[3-(trifluoromethyl)phenyl]methanone
CID 43337913

Frequently Asked Questions

What is the IUPAC name of 3-[3-(trifluoromethyl)benzoyl]pyridine-2-carboxylic acid?
The IUPAC name of 3-[3-(trifluoromethyl)benzoyl]pyridine-2-carboxylic acid (CID 19700744) is 3-[3-(trifluoromethyl)benzoyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-[3-(trifluoromethyl)benzoyl]pyridine-2-carboxylic acid?
The canonical SMILES for 3-[3-(trifluoromethyl)benzoyl]pyridine-2-carboxylic acid is O=C(c1cccc(C(F)(F)F)c1)c1cccnc1C(=O)O.
What is the InChIKey of 3-[3-(trifluoromethyl)benzoyl]pyridine-2-carboxylic acid?
The InChIKey is SHEAVLCYVRDDDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F3NO3/c15-14(16,17)9-4-1-3-8(7-9)12(19)10-5-2-6-18-11(10)13(20)21/h1-7H,(H,20,21).
What are the key properties of 3-[3-(trifluoromethyl)benzoyl]pyridine-2-carboxylic acid?
3-[3-(trifluoromethyl)benzoyl]pyridine-2-carboxylic acid has a molecular weight of 295.22 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(trifluoromethyl)benzoyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 19700744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).