5-bromo-2-chloro-N-(4-chloro-3-methoxyphenyl)pyridine-3-carboxamide

C13H9BrCl2N2O2 — CID 107300867

IUPAC5-bromo-2-chloro-N-(4-chloro-3-methoxyphenyl)pyridine-3-carboxamide
SMILESCOc1cc(NC(=O)c2cc(Br)cnc2Cl)ccc1Cl
InChIInChI=1S/C13H9BrCl2N2O2/c1-20-11-5-8(2-3-10(11)15)18-13(19)9-4-7(14)6-17-12(9)16/h2-6H,1H3,(H,18,19)
InChIKeyXLGNBBQVHJNISY-UHFFFAOYSA-N
MW376.04 g/mol
LogP4.41
Rot. Bonds3

About 5-bromo-2-chloro-N-(4-chloro-3-methoxyphenyl)pyridine-3-carboxamide

5-bromo-2-chloro-N-(4-chloro-3-methoxyphenyl)pyridine-3-carboxamide (PubChem CID 107300867) has the molecular formula C13H9BrCl2N2O2 and a molecular weight of 376.04 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-(4-chloro-3-methoxyphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-2-chloro-N-(4-chloro-3-methoxyphenyl)pyridine-3-carboxamide
PubChem CID107300867
Molecular FormulaC13H9BrCl2N2O2
Molecular Weight376.04 g/mol
Exact Mass373.92
IUPAC Name5-bromo-2-chloro-N-(4-chloro-3-methoxyphenyl)pyridine-3-carboxamide
SMILESCOc1cc(NC(=O)c2cc(Br)cnc2Cl)ccc1Cl
InChIInChI=1S/C13H9BrCl2N2O2/c1-20-11-5-8(2-3-10(11)15)18-13(19)9-4-7(14)6-17-12(9)16/h2-6H,1H3,(H,18,19)
InChIKeyXLGNBBQVHJNISY-UHFFFAOYSA-N
XLogP4.41
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.04
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

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5-bromo-2-chloro-N-(6-methylsulfonyl-3-pyridinyl)pyridine-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-(4-chloro-3-methoxyphenyl)pyridine-3-carboxamide?
The IUPAC name of 5-bromo-2-chloro-N-(4-chloro-3-methoxyphenyl)pyridine-3-carboxamide (CID 107300867) is 5-bromo-2-chloro-N-(4-chloro-3-methoxyphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-2-chloro-N-(4-chloro-3-methoxyphenyl)pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-2-chloro-N-(4-chloro-3-methoxyphenyl)pyridine-3-carboxamide is COc1cc(NC(=O)c2cc(Br)cnc2Cl)ccc1Cl.
What is the InChIKey of 5-bromo-2-chloro-N-(4-chloro-3-methoxyphenyl)pyridine-3-carboxamide?
The InChIKey is XLGNBBQVHJNISY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrCl2N2O2/c1-20-11-5-8(2-3-10(11)15)18-13(19)9-4-7(14)6-17-12(9)16/h2-6H,1H3,(H,18,19).
What are the key properties of 5-bromo-2-chloro-N-(4-chloro-3-methoxyphenyl)pyridine-3-carboxamide?
5-bromo-2-chloro-N-(4-chloro-3-methoxyphenyl)pyridine-3-carboxamide has a molecular weight of 376.04 g/mol, XLogP of 4.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-(4-chloro-3-methoxyphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 107300867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).