3-bromo-N-(3-bromo-5-chloro-2-methoxyphenyl)pyridine-2-carboxamide

C13H9Br2ClN2O2 — CID 107518279

IUPAC3-bromo-N-(3-bromo-5-chloro-2-methoxyphenyl)pyridine-2-carboxamide
SMILESCOc1c(Br)cc(Cl)cc1NC(=O)c1ncccc1Br
InChIInChI=1S/C13H9Br2ClN2O2/c1-20-12-9(15)5-7(16)6-10(12)18-13(19)11-8(14)3-2-4-17-11/h2-6H,1H3,(H,18,19)
InChIKeyFCYYLUQBHKSQQD-UHFFFAOYSA-N
MW420.49 g/mol
LogP4.52
Rot. Bonds3

About 3-bromo-N-(3-bromo-5-chloro-2-methoxyphenyl)pyridine-2-carboxamide

3-bromo-N-(3-bromo-5-chloro-2-methoxyphenyl)pyridine-2-carboxamide (PubChem CID 107518279) has the molecular formula C13H9Br2ClN2O2 and a molecular weight of 420.49 g/mol. Its IUPAC name is 3-bromo-N-(3-bromo-5-chloro-2-methoxyphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-(3-bromo-5-chloro-2-methoxyphenyl)pyridine-2-carboxamide
PubChem CID107518279
Molecular FormulaC13H9Br2ClN2O2
Molecular Weight420.49 g/mol
Exact Mass417.87
IUPAC Name3-bromo-N-(3-bromo-5-chloro-2-methoxyphenyl)pyridine-2-carboxamide
SMILESCOc1c(Br)cc(Cl)cc1NC(=O)c1ncccc1Br
InChIInChI=1S/C13H9Br2ClN2O2/c1-20-12-9(15)5-7(16)6-10(12)18-13(19)11-8(14)3-2-4-17-11/h2-6H,1H3,(H,18,19)
InChIKeyFCYYLUQBHKSQQD-UHFFFAOYSA-N
XLogP4.52
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-(4-chloro-2,5-dimethoxyphenyl)pyridine-2-carboxamide
CID 107517707
3-bromo-N-(5-bromo-2-methoxyphenyl)pyridine-2-carboxamide
CID 107517604
methyl 3-[(3-bromopyridine-2-carbonyl)amino]-4-chlorobenzoate
CID 107518080
3-bromo-N-(2-hydroxy-5-methoxyphenyl)pyridine-2-carboxamide
CID 100626148
2-bromo-N-(3-bromo-5-chloro-2-methoxyphenyl)-3-methylbenzamide
CID 103853019
N-(2-amino-5-methoxyphenyl)-3-bromopyridine-2-carboxamide
CID 107519991
N-(3-bromo-5-chloro-2-ethoxyphenyl)-2-chloropyridine-3-carboxamide
CID 60710404
3-bromo-N-(3-bromo-5-chloro-2-methoxyphenyl)-5-chlorobenzamide
CID 107951917
N-(4-amino-2-chlorophenyl)-3-bromopyridine-2-carboxamide
CID 107516836
5-bromo-N-(3-bromo-5-chloro-2-methoxyphenyl)-2-fluorobenzamide
CID 35206912
3-bromo-N-[5-chloro-2-[(E)-N'-hydroxycarbamimidoyl]phenyl]pyridine-2-carboxamide
CID 107525430
N-(3-bromo-5-chloro-2-methoxyphenyl)-2-(methylamino)acetamide
CID 43704379

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(3-bromo-5-chloro-2-methoxyphenyl)pyridine-2-carboxamide?
The IUPAC name of 3-bromo-N-(3-bromo-5-chloro-2-methoxyphenyl)pyridine-2-carboxamide (CID 107518279) is 3-bromo-N-(3-bromo-5-chloro-2-methoxyphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 3-bromo-N-(3-bromo-5-chloro-2-methoxyphenyl)pyridine-2-carboxamide?
The canonical SMILES for 3-bromo-N-(3-bromo-5-chloro-2-methoxyphenyl)pyridine-2-carboxamide is COc1c(Br)cc(Cl)cc1NC(=O)c1ncccc1Br.
What is the InChIKey of 3-bromo-N-(3-bromo-5-chloro-2-methoxyphenyl)pyridine-2-carboxamide?
The InChIKey is FCYYLUQBHKSQQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Br2ClN2O2/c1-20-12-9(15)5-7(16)6-10(12)18-13(19)11-8(14)3-2-4-17-11/h2-6H,1H3,(H,18,19).
What are the key properties of 3-bromo-N-(3-bromo-5-chloro-2-methoxyphenyl)pyridine-2-carboxamide?
3-bromo-N-(3-bromo-5-chloro-2-methoxyphenyl)pyridine-2-carboxamide has a molecular weight of 420.49 g/mol, XLogP of 4.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(3-bromo-5-chloro-2-methoxyphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 107518279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).