1-(2-methylpropyl)-2-oxo-6-phenylpyridine-3-carboxylic acid

C16H17NO3 — CID 82099701

IUPAC1-(2-methylpropyl)-2-oxo-6-phenylpyridine-3-carboxylic acid
SMILESCC(C)Cn1c(-c2ccccc2)ccc(C(=O)O)c1=O
InChIInChI=1S/C16H17NO3/c1-11(2)10-17-14(12-6-4-3-5-7-12)9-8-13(15(17)18)16(19)20/h3-9,11H,10H2,1-2H3,(H,19,20)
InChIKeyALWZHEQGNXHFBC-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.87
Rot. Bonds4

About 1-(2-methylpropyl)-2-oxo-6-phenylpyridine-3-carboxylic acid

1-(2-methylpropyl)-2-oxo-6-phenylpyridine-3-carboxylic acid (PubChem CID 82099701) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is 1-(2-methylpropyl)-2-oxo-6-phenylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-methylpropyl)-2-oxo-6-phenylpyridine-3-carboxylic acid
PubChem CID82099701
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Name1-(2-methylpropyl)-2-oxo-6-phenylpyridine-3-carboxylic acid
SMILESCC(C)Cn1c(-c2ccccc2)ccc(C(=O)O)c1=O
InChIInChI=1S/C16H17NO3/c1-11(2)10-17-14(12-6-4-3-5-7-12)9-8-13(15(17)18)16(19)20/h3-9,11H,10H2,1-2H3,(H,19,20)
InChIKeyALWZHEQGNXHFBC-UHFFFAOYSA-N
XLogP2.87
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methylpropyl)-2-oxo-6-phenylpyridine-3-carbonyl chloride
CID 82521125
1-(2,2-dimethoxyethyl)-2-oxo-6-phenylpyridine-3-carboxylic acid
CID 19695842
6-(4-fluorophenyl)-1-(2-methylpropyl)-2-oxopyridine-3-carbohydrazide
CID 82519493
2-[6-(4-fluorophenyl)-1-(2-methylpropyl)-2-oxo-3-pyridinyl]acetic acid
CID 82519501
1-(2-carboxyethyl)-6-(4-methylphenyl)-2-oxopyridine-3-carboxylic acid
CID 82099726
6-(4-methylphenyl)-2-oxo-1-prop-2-enylpyridine-3-carboxylic acid
CID 82099715
2-[1-(3-methylbutyl)-2-oxo-6-phenyl-3-pyridinyl]acetic acid
CID 82521071
6-(3-nitrophenyl)-2-oxo-1-propylpyridine-3-carboxylic acid
CID 82099816
1-ethyl-2-oxo-6-(4-propoxyphenyl)pyridine-3-carboxylic acid
CID 82517790
6-(4-chlorophenyl)-1-(2-methoxyethyl)-2-oxopyridine-3-carboxylic acid
CID 82519227
6-(4-chlorophenyl)-3-(hydroxymethyl)-1-(2-methylpropyl)pyridin-2-one
CID 82519259
6-(4-methoxyphenyl)-2-oxo-1-prop-2-ynylpyridine-3-carboxylic acid
CID 82099856

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-2-oxo-6-phenylpyridine-3-carboxylic acid?
The IUPAC name of 1-(2-methylpropyl)-2-oxo-6-phenylpyridine-3-carboxylic acid (CID 82099701) is 1-(2-methylpropyl)-2-oxo-6-phenylpyridine-3-carboxylic acid.
What is the SMILES notation for 1-(2-methylpropyl)-2-oxo-6-phenylpyridine-3-carboxylic acid?
The canonical SMILES for 1-(2-methylpropyl)-2-oxo-6-phenylpyridine-3-carboxylic acid is CC(C)Cn1c(-c2ccccc2)ccc(C(=O)O)c1=O.
What is the InChIKey of 1-(2-methylpropyl)-2-oxo-6-phenylpyridine-3-carboxylic acid?
The InChIKey is ALWZHEQGNXHFBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c1-11(2)10-17-14(12-6-4-3-5-7-12)9-8-13(15(17)18)16(19)20/h3-9,11H,10H2,1-2H3,(H,19,20).
What are the key properties of 1-(2-methylpropyl)-2-oxo-6-phenylpyridine-3-carboxylic acid?
1-(2-methylpropyl)-2-oxo-6-phenylpyridine-3-carboxylic acid has a molecular weight of 271.32 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-2-oxo-6-phenylpyridine-3-carboxylic acid is sourced from PubChem (CID 82099701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).