N-[(2-bromophenyl)methylideneamino]pyridine-2-carboxamide

C₁₃H₁₀BrN₃O — CID 760228

About N-[(2-bromophenyl)methylideneamino]pyridine-2-carboxamide

N-[(2-bromophenyl)methylideneamino]pyridine-2-carboxamide (PubChem CID 760228) has the molecular formula C₁₃H₁₀BrN₃O and a molecular weight of 304.15 g/mol. Its IUPAC name is N-[(2-bromophenyl)methylideneamino]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[(2-bromophenyl)methylideneamino]pyridine-2-carboxamide
• PubChem CID: 760228
• Molecular Formula: C₁₃H₁₀BrN₃O
• Molecular Weight: 304.15 g/mol
• Exact Mass: 303.00
• IUPAC Name: N-[(2-bromophenyl)methylideneamino]pyridine-2-carboxamide
• SMILES: O=C(NN=Cc1ccccc1Br)c1ccccn1
• InChI: InChI=1S/C13H10BrN3O/c14-11-6-2-1-5-10(11)9-16-17-13(18)12-7-3-4-8-15-12/h1-9H,(H,17,18)
• InChIKey: PRVMMGONYICJRV-UHFFFAOYSA-N
• XLogP: 2.61
• TPSA: 54.35 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 18
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	304.15
LogP ≤ 5	2.61
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)methylideneamino]pyridine-2-carboxamide?

The IUPAC name of N-[(2-bromophenyl)methylideneamino]pyridine-2-carboxamide (CID 760228) is N-[(2-bromophenyl)methylideneamino]pyridine-2-carboxamide.

What is the SMILES notation for N-[(2-bromophenyl)methylideneamino]pyridine-2-carboxamide?

The canonical SMILES for N-[(2-bromophenyl)methylideneamino]pyridine-2-carboxamide is O=C(NN=Cc1ccccc1Br)c1ccccn1.

What is the InChIKey of N-[(2-bromophenyl)methylideneamino]pyridine-2-carboxamide?

The InChIKey is PRVMMGONYICJRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrN3O/c14-11-6-2-1-5-10(11)9-16-17-13(18)12-7-3-4-8-15-12/h1-9H,(H,17,18).

What are the key properties of N-[(2-bromophenyl)methylideneamino]pyridine-2-carboxamide?

N-[(2-bromophenyl)methylideneamino]pyridine-2-carboxamide has a molecular weight of 304.15 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2-bromophenyl)methylideneamino]pyridine-2-carboxamide is sourced from PubChem (CID 760228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 760228 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.