3-(3-fluoro-2-pyridin-2-ylphenyl)pyridine-2-carboxylic acid

C17H11FN2O2 — CID 141329898

IUPAC3-(3-fluoro-2-pyridin-2-ylphenyl)pyridine-2-carboxylic acid
SMILESO=C(O)c1ncccc1-c1cccc(F)c1-c1ccccn1
InChIInChI=1S/C17H11FN2O2/c18-13-7-3-5-11(15(13)14-8-1-2-9-19-14)12-6-4-10-20-16(12)17(21)22/h1-10H,(H,21,22)
InChIKeyAOZMBFBZAGLQBJ-UHFFFAOYSA-N
MW294.29 g/mol
LogP3.65
Rot. Bonds3

About 3-(3-fluoro-2-pyridin-2-ylphenyl)pyridine-2-carboxylic acid

3-(3-fluoro-2-pyridin-2-ylphenyl)pyridine-2-carboxylic acid (PubChem CID 141329898) has the molecular formula C17H11FN2O2 and a molecular weight of 294.29 g/mol. Its IUPAC name is 3-(3-fluoro-2-pyridin-2-ylphenyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-(3-fluoro-2-pyridin-2-ylphenyl)pyridine-2-carboxylic acid
PubChem CID141329898
Molecular FormulaC17H11FN2O2
Molecular Weight294.29 g/mol
Exact Mass294.08
IUPAC Name3-(3-fluoro-2-pyridin-2-ylphenyl)pyridine-2-carboxylic acid
SMILESO=C(O)c1ncccc1-c1cccc(F)c1-c1ccccn1
InChIInChI=1S/C17H11FN2O2/c18-13-7-3-5-11(15(13)14-8-1-2-9-19-14)12-6-4-10-20-16(12)17(21)22/h1-10H,(H,21,22)
InChIKeyAOZMBFBZAGLQBJ-UHFFFAOYSA-N
XLogP3.65
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.29
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 3442
Isoquinoline-3-carboxylic acid
CID 124656
Phenopicolinic acid
CID 3043792
2-(Pyridin-3-yl)benzoic acid
CID 2760505
3-(Pyridin-3-yl)benzoic acid
CID 2795575
Isoquinoline-1-carboxylic acid
CID 68092
Cinchoninic acid, 2-(3-pyridyl)-
CID 24067
2-(Pyridin-4-yl)quinoline-4-carboxylic acid
CID 26587
4-Pyridin-3-yl-benzoic acid
CID 1515244
Methyl 3-isoquinolinecarboxylate
CID 725374
3-Methylpicolinic acid
CID 268757
4-Phenylpyridine-2,6-dicarboxylic acid
CID 12843432

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-2-pyridin-2-ylphenyl)pyridine-2-carboxylic acid?
The IUPAC name of 3-(3-fluoro-2-pyridin-2-ylphenyl)pyridine-2-carboxylic acid (CID 141329898) is 3-(3-fluoro-2-pyridin-2-ylphenyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 3-(3-fluoro-2-pyridin-2-ylphenyl)pyridine-2-carboxylic acid?
The canonical SMILES for 3-(3-fluoro-2-pyridin-2-ylphenyl)pyridine-2-carboxylic acid is O=C(O)c1ncccc1-c1cccc(F)c1-c1ccccn1.
What is the InChIKey of 3-(3-fluoro-2-pyridin-2-ylphenyl)pyridine-2-carboxylic acid?
The InChIKey is AOZMBFBZAGLQBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11FN2O2/c18-13-7-3-5-11(15(13)14-8-1-2-9-19-14)12-6-4-10-20-16(12)17(21)22/h1-10H,(H,21,22).
What are the key properties of 3-(3-fluoro-2-pyridin-2-ylphenyl)pyridine-2-carboxylic acid?
3-(3-fluoro-2-pyridin-2-ylphenyl)pyridine-2-carboxylic acid has a molecular weight of 294.29 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoro-2-pyridin-2-ylphenyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 141329898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).