2-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxylic acid

C13H8F3NO3 — CID 28875531

IUPAC2-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1-c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C13H8F3NO3/c14-13(15,16)20-9-5-3-8(4-6-9)11-10(12(18)19)2-1-7-17-11/h1-7H,(H,18,19)
InChIKeyALAGESCAQQXXDI-UHFFFAOYSA-N
MW283.21 g/mol
LogP3.35
Rot. Bonds3

About 2-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxylic acid

2-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxylic acid (PubChem CID 28875531) has the molecular formula C13H8F3NO3 and a molecular weight of 283.21 g/mol. Its IUPAC name is 2-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxylic acid
PubChem CID28875531
Molecular FormulaC13H8F3NO3
Molecular Weight283.21 g/mol
Exact Mass283.05
IUPAC Name2-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1-c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C13H8F3NO3/c14-13(15,16)20-9-5-3-8(4-6-9)11-10(12(18)19)2-1-7-17-11/h1-7H,(H,18,19)
InChIKeyALAGESCAQQXXDI-UHFFFAOYSA-N
XLogP3.35
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.21
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[4-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxylic acid
CID 67521270
3-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxylic acid
CID 53224302
2-(4-propan-2-yloxyphenyl)pyridine-3-carboxylic acid
CID 82089202
6-chloro-2-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxylic acid
CID 134630822
2-[4-(trifluoromethoxy)phenyl]pyridine-3-carbaldehyde
CID 118819959
4-[3-[4-(trifluoromethoxy)phenyl]pyrazin-2-yl]piperazine-1-carboxylic acid
CID 68595845
2-fluoro-3-[4-(trifluoromethoxy)phenyl]benzoic acid
CID 103694068
2-[4-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]phenyl]pyridine-3-carboxylic acid
CID 141382276
4-(3-fluoro-2-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 59672975
2-[4-(trifluoromethoxy)phenoxy]pyridine-3-carboxamide
CID 69477182
2-[3-cyano-4-[3-[2,6-dichloro-4-(trifluoromethoxy)phenoxy]propoxy]phenyl]pyridine-3-carboxylic acid
CID 68704440
3-ethoxycarbonyl-2-[4-(trifluoromethoxy)phenyl]benzoic acid
CID 169449761

Frequently Asked Questions

What is the IUPAC name of 2-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxylic acid?
The IUPAC name of 2-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxylic acid (CID 28875531) is 2-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxylic acid is O=C(O)c1cccnc1-c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 2-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxylic acid?
The InChIKey is ALAGESCAQQXXDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F3NO3/c14-13(15,16)20-9-5-3-8(4-6-9)11-10(12(18)19)2-1-7-17-11/h1-7H,(H,18,19).
What are the key properties of 2-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxylic acid?
2-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxylic acid has a molecular weight of 283.21 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 28875531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).