2-[(3-chlorophenyl)methyl]-6-oxo-1H-pyridine-3-carboxylic acid

C13H10ClNO3 — CID 70276099

IUPAC2-[(3-chlorophenyl)methyl]-6-oxo-1H-pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(=O)[nH]c1Cc1cccc(Cl)c1
InChIInChI=1S/C13H10ClNO3/c14-9-3-1-2-8(6-9)7-11-10(13(17)18)4-5-12(16)15-11/h1-6H,7H2,(H,15,16)(H,17,18)
InChIKeyFCMJNBLCRAHJCH-UHFFFAOYSA-N
MW263.68 g/mol
LogP2.32
Rot. Bonds3

About 2-[(3-chlorophenyl)methyl]-6-oxo-1H-pyridine-3-carboxylic acid

2-[(3-chlorophenyl)methyl]-6-oxo-1H-pyridine-3-carboxylic acid (PubChem CID 70276099) has the molecular formula C13H10ClNO3 and a molecular weight of 263.68 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)methyl]-6-oxo-1H-pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[(3-chlorophenyl)methyl]-6-oxo-1H-pyridine-3-carboxylic acid
PubChem CID70276099
Molecular FormulaC13H10ClNO3
Molecular Weight263.68 g/mol
Exact Mass263.03
IUPAC Name2-[(3-chlorophenyl)methyl]-6-oxo-1H-pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(=O)[nH]c1Cc1cccc(Cl)c1
InChIInChI=1S/C13H10ClNO3/c14-9-3-1-2-8(6-9)7-11-10(13(17)18)4-5-12(16)15-11/h1-6H,7H2,(H,15,16)(H,17,18)
InChIKeyFCMJNBLCRAHJCH-UHFFFAOYSA-N
XLogP2.32
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.68
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)methyl]-6-oxo-1H-pyridine-3-carboxylic acid?
The IUPAC name of 2-[(3-chlorophenyl)methyl]-6-oxo-1H-pyridine-3-carboxylic acid (CID 70276099) is 2-[(3-chlorophenyl)methyl]-6-oxo-1H-pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[(3-chlorophenyl)methyl]-6-oxo-1H-pyridine-3-carboxylic acid?
The canonical SMILES for 2-[(3-chlorophenyl)methyl]-6-oxo-1H-pyridine-3-carboxylic acid is O=C(O)c1ccc(=O)[nH]c1Cc1cccc(Cl)c1.
What is the InChIKey of 2-[(3-chlorophenyl)methyl]-6-oxo-1H-pyridine-3-carboxylic acid?
The InChIKey is FCMJNBLCRAHJCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClNO3/c14-9-3-1-2-8(6-9)7-11-10(13(17)18)4-5-12(16)15-11/h1-6H,7H2,(H,15,16)(H,17,18).
What are the key properties of 2-[(3-chlorophenyl)methyl]-6-oxo-1H-pyridine-3-carboxylic acid?
2-[(3-chlorophenyl)methyl]-6-oxo-1H-pyridine-3-carboxylic acid has a molecular weight of 263.68 g/mol, XLogP of 2.32, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)methyl]-6-oxo-1H-pyridine-3-carboxylic acid is sourced from PubChem (CID 70276099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).