N-(2-bromo-5-methylphenyl)-6-oxo-1H-pyridine-3-carboxamide

C13H11BrN2O2 — CID 82707211

IUPACN-(2-bromo-5-methylphenyl)-6-oxo-1H-pyridine-3-carboxamide
SMILESCc1ccc(Br)c(NC(=O)c2ccc(=O)[nH]c2)c1
InChIInChI=1S/C13H11BrN2O2/c1-8-2-4-10(14)11(6-8)16-13(18)9-3-5-12(17)15-7-9/h2-7H,1H3,(H,15,17)(H,16,18)
InChIKeyOMPPXJLTVNJTMD-UHFFFAOYSA-N
MW307.15 g/mol
LogP2.70
Rot. Bonds2

About N-(2-bromo-5-methylphenyl)-6-oxo-1H-pyridine-3-carboxamide

N-(2-bromo-5-methylphenyl)-6-oxo-1H-pyridine-3-carboxamide (PubChem CID 82707211) has the molecular formula C13H11BrN2O2 and a molecular weight of 307.15 g/mol. Its IUPAC name is N-(2-bromo-5-methylphenyl)-6-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-5-methylphenyl)-6-oxo-1H-pyridine-3-carboxamide
PubChem CID82707211
Molecular FormulaC13H11BrN2O2
Molecular Weight307.15 g/mol
Exact Mass306.00
IUPAC NameN-(2-bromo-5-methylphenyl)-6-oxo-1H-pyridine-3-carboxamide
SMILESCc1ccc(Br)c(NC(=O)c2ccc(=O)[nH]c2)c1
InChIInChI=1S/C13H11BrN2O2/c1-8-2-4-10(14)11(6-8)16-13(18)9-3-5-12(17)15-7-9/h2-7H,1H3,(H,15,17)(H,16,18)
InChIKeyOMPPXJLTVNJTMD-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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Related Compounds

N-(2-bromo-5-iodophenyl)-6-oxo-1H-pyridine-3-carboxamide
CID 113231003
N-(2-fluoro-5-methylphenyl)-6-oxo-1H-pyridine-3-carboxamide
CID 28825950
N-(4-bromo-2,5-difluorophenyl)-6-oxo-1H-pyridine-3-carboxamide
CID 103842478
N-(2-bromo-5-methylphenyl)-4-methylsulfanylbenzamide
CID 82707112
3-bromo-N-(2-bromo-5-methylphenyl)-5-methylbenzamide
CID 104851666
3-amino-N-(2-bromo-5-methylphenyl)-4-methylbenzamide
CID 82761463
N-(4-bromo-3-fluorophenyl)-6-oxo-1H-pyridine-3-carboxamide
CID 65435783
N-(2-bromo-5-methylphenyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 82757582
N-(4-fluoro-2-methylphenyl)-6-oxo-1H-pyridine-3-carboxamide
CID 8840517
4-amino-N-(2-bromo-5-methylphenyl)-3-fluorobenzamide
CID 82761895
N-(2-bromo-5-methylphenyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 82707017
N-(2-bromo-5-methylphenyl)quinoxaline-6-carboxamide
CID 82712323

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-methylphenyl)-6-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-(2-bromo-5-methylphenyl)-6-oxo-1H-pyridine-3-carboxamide (CID 82707211) is N-(2-bromo-5-methylphenyl)-6-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(2-bromo-5-methylphenyl)-6-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(2-bromo-5-methylphenyl)-6-oxo-1H-pyridine-3-carboxamide is Cc1ccc(Br)c(NC(=O)c2ccc(=O)[nH]c2)c1.
What is the InChIKey of N-(2-bromo-5-methylphenyl)-6-oxo-1H-pyridine-3-carboxamide?
The InChIKey is OMPPXJLTVNJTMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN2O2/c1-8-2-4-10(14)11(6-8)16-13(18)9-3-5-12(17)15-7-9/h2-7H,1H3,(H,15,17)(H,16,18).
What are the key properties of N-(2-bromo-5-methylphenyl)-6-oxo-1H-pyridine-3-carboxamide?
N-(2-bromo-5-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-(2-bromo-5-methylphenyl)-6-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 82707211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).