3-phenylpyridine-2-carboxylic acid

C12H9NO2 — CID 2762789

IUPAC3-phenylpyridine-2-carboxylic acid
SMILESO=C(O)c1ncccc1-c1ccccc1
InChIInChI=1S/C12H9NO2/c14-12(15)11-10(7-4-8-13-11)9-5-2-1-3-6-9/h1-8H,(H,14,15)
InChIKeySJLPJJGKJSOUOR-UHFFFAOYSA-N
MW199.21 g/mol
LogP2.45
Rot. Bonds2

About 3-phenylpyridine-2-carboxylic acid

3-phenylpyridine-2-carboxylic acid (PubChem CID 2762789) has the molecular formula C12H9NO2 and a molecular weight of 199.21 g/mol. Its IUPAC name is 3-phenylpyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-phenylpyridine-2-carboxylic acid
PubChem CID2762789
Molecular FormulaC12H9NO2
Molecular Weight199.21 g/mol
Exact Mass199.06
IUPAC Name3-phenylpyridine-2-carboxylic acid
SMILESO=C(O)c1ncccc1-c1ccccc1
InChIInChI=1S/C12H9NO2/c14-12(15)11-10(7-4-8-13-11)9-5-2-1-3-6-9/h1-8H,(H,14,15)
InChIKeySJLPJJGKJSOUOR-UHFFFAOYSA-N
XLogP2.45
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-pyridin-4-ylpyridine-2-carboxylic acid
CID 46316065
3-(4-hydroxyphenyl)pyridine-2-carboxylic acid
CID 53222577
3-[2-(hydroxymethyl)phenyl]pyridine-2-carboxylic acid
CID 53222725
3-(4-ethoxyphenyl)pyridine-2-carboxylic acid
CID 82085089
3-(3-phenyl-1H-pyrazol-5-yl)pyridine-2-carboxylic acid
CID 134462707
3-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxylic acid
CID 53224302
3-(3-methoxyphenyl)pyridine-2-carboxylic acid
CID 52983911
3-[2-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid
CID 52983947
3-(1H-pyrazol-5-yl)pyridine-2-carboxylic acid
CID 154069923
3-(4-methylnaphthalen-1-yl)pyridine-2-carboxylic acid
CID 107525274
3-[3-(dimethylsulfamoyl)phenyl]pyridine-2-carboxylic acid
CID 53224585
(1-methylcyclopropyl) 3-phenylpyridine-2-carboxylate
CID 126507279

Frequently Asked Questions

What is the IUPAC name of 3-phenylpyridine-2-carboxylic acid?
The IUPAC name of 3-phenylpyridine-2-carboxylic acid (CID 2762789) is 3-phenylpyridine-2-carboxylic acid.
What is the SMILES notation for 3-phenylpyridine-2-carboxylic acid?
The canonical SMILES for 3-phenylpyridine-2-carboxylic acid is O=C(O)c1ncccc1-c1ccccc1.
What is the InChIKey of 3-phenylpyridine-2-carboxylic acid?
The InChIKey is SJLPJJGKJSOUOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NO2/c14-12(15)11-10(7-4-8-13-11)9-5-2-1-3-6-9/h1-8H,(H,14,15).
What are the key properties of 3-phenylpyridine-2-carboxylic acid?
3-phenylpyridine-2-carboxylic acid has a molecular weight of 199.21 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylpyridine-2-carboxylic acid is sourced from PubChem (CID 2762789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).