N-(4-bromo-3-methylphenyl)-6-oxo-1H-pyridine-3-carboxamide

C13H11BrN2O2 — CID 3384164

IUPACN-(4-bromo-3-methylphenyl)-6-oxo-1H-pyridine-3-carboxamide
SMILESCc1cc(NC(=O)c2ccc(=O)[nH]c2)ccc1Br
InChIInChI=1S/C13H11BrN2O2/c1-8-6-10(3-4-11(8)14)16-13(18)9-2-5-12(17)15-7-9/h2-7H,1H3,(H,15,17)(H,16,18)
InChIKeyJXJNFEBMJKSYHO-UHFFFAOYSA-N
MW307.15 g/mol
LogP2.70
Rot. Bonds2

About N-(4-bromo-3-methylphenyl)-6-oxo-1H-pyridine-3-carboxamide

N-(4-bromo-3-methylphenyl)-6-oxo-1H-pyridine-3-carboxamide (PubChem CID 3384164) has the molecular formula C13H11BrN2O2 and a molecular weight of 307.15 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)-6-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)-6-oxo-1H-pyridine-3-carboxamide
PubChem CID3384164
Molecular FormulaC13H11BrN2O2
Molecular Weight307.15 g/mol
Exact Mass306.00
IUPAC NameN-(4-bromo-3-methylphenyl)-6-oxo-1H-pyridine-3-carboxamide
SMILESCc1cc(NC(=O)c2ccc(=O)[nH]c2)ccc1Br
InChIInChI=1S/C13H11BrN2O2/c1-8-6-10(3-4-11(8)14)16-13(18)9-2-5-12(17)15-7-9/h2-7H,1H3,(H,15,17)(H,16,18)
InChIKeyJXJNFEBMJKSYHO-UHFFFAOYSA-N
XLogP2.70
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.15
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylphenyl)-6-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-(4-bromo-3-methylphenyl)-6-oxo-1H-pyridine-3-carboxamide (CID 3384164) is N-(4-bromo-3-methylphenyl)-6-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)-6-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(4-bromo-3-methylphenyl)-6-oxo-1H-pyridine-3-carboxamide is Cc1cc(NC(=O)c2ccc(=O)[nH]c2)ccc1Br.
What is the InChIKey of N-(4-bromo-3-methylphenyl)-6-oxo-1H-pyridine-3-carboxamide?
The InChIKey is JXJNFEBMJKSYHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN2O2/c1-8-6-10(3-4-11(8)14)16-13(18)9-2-5-12(17)15-7-9/h2-7H,1H3,(H,15,17)(H,16,18).
What are the key properties of N-(4-bromo-3-methylphenyl)-6-oxo-1H-pyridine-3-carboxamide?
N-(4-bromo-3-methylphenyl)-6-oxo-1H-pyridine-3-carboxamide has a molecular weight of 307.15 g/mol, XLogP of 2.70, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methylphenyl)-6-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 3384164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).