1-benzhydryl-6-oxopyridine-3-carboxylic acid

C19H15NO3 — CID 59775088

IUPAC1-benzhydryl-6-oxopyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(=O)n(C(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C19H15NO3/c21-17-12-11-16(19(22)23)13-20(17)18(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-13,18H,(H,22,23)
InChIKeyBUHNYNHBRBGCHR-UHFFFAOYSA-N
MW305.33 g/mol
LogP3.18
Rot. Bonds4

About 1-benzhydryl-6-oxopyridine-3-carboxylic acid

1-benzhydryl-6-oxopyridine-3-carboxylic acid (PubChem CID 59775088) has the molecular formula C19H15NO3 and a molecular weight of 305.33 g/mol. Its IUPAC name is 1-benzhydryl-6-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-benzhydryl-6-oxopyridine-3-carboxylic acid
PubChem CID59775088
Molecular FormulaC19H15NO3
Molecular Weight305.33 g/mol
Exact Mass305.11
IUPAC Name1-benzhydryl-6-oxopyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(=O)n(C(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C19H15NO3/c21-17-12-11-16(19(22)23)13-20(17)18(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-13,18H,(H,22,23)
InChIKeyBUHNYNHBRBGCHR-UHFFFAOYSA-N
XLogP3.18
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzhydryl-6-oxopyridine-3-carboxylic acid?
The IUPAC name of 1-benzhydryl-6-oxopyridine-3-carboxylic acid (CID 59775088) is 1-benzhydryl-6-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 1-benzhydryl-6-oxopyridine-3-carboxylic acid?
The canonical SMILES for 1-benzhydryl-6-oxopyridine-3-carboxylic acid is O=C(O)c1ccc(=O)n(C(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of 1-benzhydryl-6-oxopyridine-3-carboxylic acid?
The InChIKey is BUHNYNHBRBGCHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO3/c21-17-12-11-16(19(22)23)13-20(17)18(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-13,18H,(H,22,23).
What are the key properties of 1-benzhydryl-6-oxopyridine-3-carboxylic acid?
1-benzhydryl-6-oxopyridine-3-carboxylic acid has a molecular weight of 305.33 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzhydryl-6-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 59775088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).