2-ethyl-6-phenylpyridine-3-carboxylic acid

C14H13NO2 — CID 91810897

IUPAC2-ethyl-6-phenylpyridine-3-carboxylic acid
SMILESCCc1nc(-c2ccccc2)ccc1C(=O)O
InChIInChI=1S/C14H13NO2/c1-2-12-11(14(16)17)8-9-13(15-12)10-6-4-3-5-7-10/h3-9H,2H2,1H3,(H,16,17)
InChIKeyDLTLOOWNZMOCJG-UHFFFAOYSA-N
MW227.26 g/mol
LogP3.01
Rot. Bonds3

About 2-ethyl-6-phenylpyridine-3-carboxylic acid

2-ethyl-6-phenylpyridine-3-carboxylic acid (PubChem CID 91810897) has the molecular formula C14H13NO2 and a molecular weight of 227.26 g/mol. Its IUPAC name is 2-ethyl-6-phenylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-6-phenylpyridine-3-carboxylic acid
PubChem CID91810897
Molecular FormulaC14H13NO2
Molecular Weight227.26 g/mol
Exact Mass227.09
IUPAC Name2-ethyl-6-phenylpyridine-3-carboxylic acid
SMILESCCc1nc(-c2ccccc2)ccc1C(=O)O
InChIInChI=1S/C14H13NO2/c1-2-12-11(14(16)17)8-9-13(15-12)10-6-4-3-5-7-10/h3-9H,2H2,1H3,(H,16,17)
InChIKeyDLTLOOWNZMOCJG-UHFFFAOYSA-N
XLogP3.01
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-phenyl-2-propylpyridine-3-carboxylic acid
CID 112693851
2-ethyl-6-(4-ethylphenyl)pyridine-3-carboxylic acid
CID 116532989
2-(diethoxymethyl)-6-phenylpyridine-3-carboxylic acid
CID 112757140
6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-ethylpyridine-3-carboxylic acid
CID 116532959
2-ethyl-6-(1-methylbenzimidazol-2-yl)pyridine-3-carboxylic acid
CID 116532988
2-ethyl-6-(4-methyl-3-nitrophenyl)pyridine-3-carboxylic acid
CID 116532972
2-ethyl-6-(1,3-thiazol-2-yl)pyridine-3-carboxylic acid
CID 116533031
ethyl 2-amino-6-phenylpyridine-3-carboxylate
CID 1236695
ethyl 2-ethyl-6-(3-methylphenyl)pyridine-3-carboxylate
CID 116532844
6-(2,5-difluoro-4-methylphenyl)-2-ethylpyridine-3-carboxylic acid
CID 116533091
3-ethyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid
CID 102534295
methyl 6-(3-bromophenyl)-2-ethylpyridine-3-carboxylate
CID 134280333

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-phenylpyridine-3-carboxylic acid?
The IUPAC name of 2-ethyl-6-phenylpyridine-3-carboxylic acid (CID 91810897) is 2-ethyl-6-phenylpyridine-3-carboxylic acid.
What is the SMILES notation for 2-ethyl-6-phenylpyridine-3-carboxylic acid?
The canonical SMILES for 2-ethyl-6-phenylpyridine-3-carboxylic acid is CCc1nc(-c2ccccc2)ccc1C(=O)O.
What is the InChIKey of 2-ethyl-6-phenylpyridine-3-carboxylic acid?
The InChIKey is DLTLOOWNZMOCJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO2/c1-2-12-11(14(16)17)8-9-13(15-12)10-6-4-3-5-7-10/h3-9H,2H2,1H3,(H,16,17).
What are the key properties of 2-ethyl-6-phenylpyridine-3-carboxylic acid?
2-ethyl-6-phenylpyridine-3-carboxylic acid has a molecular weight of 227.26 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-phenylpyridine-3-carboxylic acid is sourced from PubChem (CID 91810897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).