6-phenyl-2-propylpyridine-3-carboxylic acid

C15H15NO2 — CID 112693851

IUPAC6-phenyl-2-propylpyridine-3-carboxylic acid
SMILESCCCc1nc(-c2ccccc2)ccc1C(=O)O
InChIInChI=1S/C15H15NO2/c1-2-6-14-12(15(17)18)9-10-13(16-14)11-7-4-3-5-8-11/h3-5,7-10H,2,6H2,1H3,(H,17,18)
InChIKeyRPRHXNDWPOEQAX-UHFFFAOYSA-N
MW241.29 g/mol
LogP3.40
Rot. Bonds4

About 6-phenyl-2-propylpyridine-3-carboxylic acid

6-phenyl-2-propylpyridine-3-carboxylic acid (PubChem CID 112693851) has the molecular formula C15H15NO2 and a molecular weight of 241.29 g/mol. Its IUPAC name is 6-phenyl-2-propylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-phenyl-2-propylpyridine-3-carboxylic acid
PubChem CID112693851
Molecular FormulaC15H15NO2
Molecular Weight241.29 g/mol
Exact Mass241.11
IUPAC Name6-phenyl-2-propylpyridine-3-carboxylic acid
SMILESCCCc1nc(-c2ccccc2)ccc1C(=O)O
InChIInChI=1S/C15H15NO2/c1-2-6-14-12(15(17)18)9-10-13(16-14)11-7-4-3-5-8-11/h3-5,7-10H,2,6H2,1H3,(H,17,18)
InChIKeyRPRHXNDWPOEQAX-UHFFFAOYSA-N
XLogP3.40
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-6-phenylpyridine-3-carboxylic acid
CID 91810897
6-(1-ethylpyrazol-4-yl)-2-propylpyridine-3-carboxylic acid
CID 116533312
2-ethyl-6-(4-ethylphenyl)pyridine-3-carboxylic acid
CID 116532989
2-(diethoxymethyl)-6-phenylpyridine-3-carboxylic acid
CID 112757140
6-(4-bromothiophen-2-yl)-2-propylpyridine-3-carboxylic acid
CID 107355263
6-(5-bromo-2-fluorophenyl)-2-propylpyridine-3-carboxylic acid
CID 116533195
2-(methylamino)-6-(4-propylphenyl)pyridine-3-carboxylic acid
CID 82123790
ethyl 2-amino-6-phenylpyridine-3-carboxylate
CID 1236695
2-(1-phenylcyclopropyl)-4-propylpyrimidine-5-carboxylic acid
CID 63080465
6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-ethylpyridine-3-carboxylic acid
CID 116532959
2-[2-(4-methylphenyl)ethyl]-6-(2-propoxyphenyl)pyridine-3-carboxylic acid
CID 110161842
6-(3-chlorophenyl)-5-methyl-2-propylpyridine-3-carboxylic acid
CID 116533201

Frequently Asked Questions

What is the IUPAC name of 6-phenyl-2-propylpyridine-3-carboxylic acid?
The IUPAC name of 6-phenyl-2-propylpyridine-3-carboxylic acid (CID 112693851) is 6-phenyl-2-propylpyridine-3-carboxylic acid.
What is the SMILES notation for 6-phenyl-2-propylpyridine-3-carboxylic acid?
The canonical SMILES for 6-phenyl-2-propylpyridine-3-carboxylic acid is CCCc1nc(-c2ccccc2)ccc1C(=O)O.
What is the InChIKey of 6-phenyl-2-propylpyridine-3-carboxylic acid?
The InChIKey is RPRHXNDWPOEQAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2/c1-2-6-14-12(15(17)18)9-10-13(16-14)11-7-4-3-5-8-11/h3-5,7-10H,2,6H2,1H3,(H,17,18).
What are the key properties of 6-phenyl-2-propylpyridine-3-carboxylic acid?
6-phenyl-2-propylpyridine-3-carboxylic acid has a molecular weight of 241.29 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-2-propylpyridine-3-carboxylic acid is sourced from PubChem (CID 112693851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).