6-oxo-2-(1-phenylethyl)-1H-pyridine-3-carboxylic acid

C14H13NO3 — CID 67406140

IUPAC6-oxo-2-(1-phenylethyl)-1H-pyridine-3-carboxylic acid
SMILESCC(c1ccccc1)c1[nH]c(=O)ccc1C(=O)O
InChIInChI=1S/C14H13NO3/c1-9(10-5-3-2-4-6-10)13-11(14(17)18)7-8-12(16)15-13/h2-9H,1H3,(H,15,16)(H,17,18)
InChIKeyRAXVRYIVNVMUTM-UHFFFAOYSA-N
MW243.26 g/mol
LogP2.22
Rot. Bonds3

About 6-oxo-2-(1-phenylethyl)-1H-pyridine-3-carboxylic acid

6-oxo-2-(1-phenylethyl)-1H-pyridine-3-carboxylic acid (PubChem CID 67406140) has the molecular formula C14H13NO3 and a molecular weight of 243.26 g/mol. Its IUPAC name is 6-oxo-2-(1-phenylethyl)-1H-pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-oxo-2-(1-phenylethyl)-1H-pyridine-3-carboxylic acid
PubChem CID67406140
Molecular FormulaC14H13NO3
Molecular Weight243.26 g/mol
Exact Mass243.09
IUPAC Name6-oxo-2-(1-phenylethyl)-1H-pyridine-3-carboxylic acid
SMILESCC(c1ccccc1)c1[nH]c(=O)ccc1C(=O)O
InChIInChI=1S/C14H13NO3/c1-9(10-5-3-2-4-6-10)13-11(14(17)18)7-8-12(16)15-13/h2-9H,1H3,(H,15,16)(H,17,18)
InChIKeyRAXVRYIVNVMUTM-UHFFFAOYSA-N
XLogP2.22
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-6-oxo-1H-pyridine-3-carboxylic acid
CID 119010180
2-hydroxy-3,4-bis(1-phenylethyl)benzoic acid
CID 14454114
2-hydroxy-5-(1-phenylethyl)benzoic acid
CID 11402235
1-phenylethylbenzene
CID 142851428
1-phenylethylbenzene
CID 11918
2-carboxy-4-(1-phenylethyl)phenolate
CID 54708045
2,5-dihydroxy-4-(1-phenylethyl)benzoic acid
CID 21413983
5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one
CID 156586016
acetic acid;cumene
CID 172767405
7-methoxy-2-(1-phenylethyl)-1H-benzimidazole-4-carboxylic acid
CID 22663413
2-hydroxy-3-[1-[4-(1-phenylethyl)phenyl]ethyl]benzoic acid
CID 19033709
zinc bis(2-carboxy-4-(1-phenylethyl)phenolate)
CID 54721130

Frequently Asked Questions

What is the IUPAC name of 6-oxo-2-(1-phenylethyl)-1H-pyridine-3-carboxylic acid?
The IUPAC name of 6-oxo-2-(1-phenylethyl)-1H-pyridine-3-carboxylic acid (CID 67406140) is 6-oxo-2-(1-phenylethyl)-1H-pyridine-3-carboxylic acid.
What is the SMILES notation for 6-oxo-2-(1-phenylethyl)-1H-pyridine-3-carboxylic acid?
The canonical SMILES for 6-oxo-2-(1-phenylethyl)-1H-pyridine-3-carboxylic acid is CC(c1ccccc1)c1[nH]c(=O)ccc1C(=O)O.
What is the InChIKey of 6-oxo-2-(1-phenylethyl)-1H-pyridine-3-carboxylic acid?
The InChIKey is RAXVRYIVNVMUTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO3/c1-9(10-5-3-2-4-6-10)13-11(14(17)18)7-8-12(16)15-13/h2-9H,1H3,(H,15,16)(H,17,18).
What are the key properties of 6-oxo-2-(1-phenylethyl)-1H-pyridine-3-carboxylic acid?
6-oxo-2-(1-phenylethyl)-1H-pyridine-3-carboxylic acid has a molecular weight of 243.26 g/mol, XLogP of 2.22, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-2-(1-phenylethyl)-1H-pyridine-3-carboxylic acid is sourced from PubChem (CID 67406140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).