1-ethyl-4-oxo-5-phenylpyridine-3-carboxylic acid

C14H13NO3 — CID 12624227

IUPAC1-ethyl-4-oxo-5-phenylpyridine-3-carboxylic acid
SMILESCCn1cc(C(=O)O)c(=O)c(-c2ccccc2)c1
InChIInChI=1S/C14H13NO3/c1-2-15-8-11(10-6-4-3-5-7-10)13(16)12(9-15)14(17)18/h3-9H,2H2,1H3,(H,17,18)
InChIKeySHIAKVUDZQSQND-UHFFFAOYSA-N
MW243.26 g/mol
LogP2.23
Rot. Bonds3

About 1-ethyl-4-oxo-5-phenylpyridine-3-carboxylic acid

1-ethyl-4-oxo-5-phenylpyridine-3-carboxylic acid (PubChem CID 12624227) has the molecular formula C14H13NO3 and a molecular weight of 243.26 g/mol. Its IUPAC name is 1-ethyl-4-oxo-5-phenylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-ethyl-4-oxo-5-phenylpyridine-3-carboxylic acid
PubChem CID12624227
Molecular FormulaC14H13NO3
Molecular Weight243.26 g/mol
Exact Mass243.09
IUPAC Name1-ethyl-4-oxo-5-phenylpyridine-3-carboxylic acid
SMILESCCn1cc(C(=O)O)c(=O)c(-c2ccccc2)c1
InChIInChI=1S/C14H13NO3/c1-2-15-8-11(10-6-4-3-5-7-10)13(16)12(9-15)14(17)18/h3-9H,2H2,1H3,(H,17,18)
InChIKeySHIAKVUDZQSQND-UHFFFAOYSA-N
XLogP2.23
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(4-chlorophenyl)-1-ethylpyrrol-3-yl]-phenylmethanone
CID 11289849
bis[1-(hydroxymethyl)-4-phenylpyrrol-3-yl]methanone
CID 174504769
4-amino-1-ethylpyrrole-3-carboxylic acid
CID 123744990
1-ethyl-5-nonyl-4-oxopyridine-3-carboxylic acid
CID 12624222
1-benzyl-5-iodo-4-oxopyridine-3-carboxylic acid
CID 151440312
5-hydroxy-1-[[2-(3-methoxyphenyl)phenyl]methyl]-4-oxopyridine-3-carboxylic acid
CID 58067690
3-(1-methyl-4-oxo-5-phenyl-3-pyridinyl)benzoic acid
CID 12879285
5-hydroxy-1-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]-4-oxopyridine-3-carboxylic acid
CID 58067638
1-ethyl-4-[4-(5-methyl-4-phenylimidazol-1-yl)-2-oxobutyl]pyrrole-3-carboxylic acid
CID 161315425
1-ethyl-7-hydroxy-4-phenylindole-6-carboxylic acid
CID 174792503
1-(2-methylpropyl)-2-oxo-6-phenylpyridine-3-carboxylic acid
CID 82099701
phthalic acid;propanal
CID 160555514

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-oxo-5-phenylpyridine-3-carboxylic acid?
The IUPAC name of 1-ethyl-4-oxo-5-phenylpyridine-3-carboxylic acid (CID 12624227) is 1-ethyl-4-oxo-5-phenylpyridine-3-carboxylic acid.
What is the SMILES notation for 1-ethyl-4-oxo-5-phenylpyridine-3-carboxylic acid?
The canonical SMILES for 1-ethyl-4-oxo-5-phenylpyridine-3-carboxylic acid is CCn1cc(C(=O)O)c(=O)c(-c2ccccc2)c1.
What is the InChIKey of 1-ethyl-4-oxo-5-phenylpyridine-3-carboxylic acid?
The InChIKey is SHIAKVUDZQSQND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO3/c1-2-15-8-11(10-6-4-3-5-7-10)13(16)12(9-15)14(17)18/h3-9H,2H2,1H3,(H,17,18).
What are the key properties of 1-ethyl-4-oxo-5-phenylpyridine-3-carboxylic acid?
1-ethyl-4-oxo-5-phenylpyridine-3-carboxylic acid has a molecular weight of 243.26 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-oxo-5-phenylpyridine-3-carboxylic acid is sourced from PubChem (CID 12624227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).