N-[(5-amino-2-chlorophenyl)methyl]-5-bromo-3-chloro-N-methylpyridin-2-amine

C₁₃H₁₂BrCl₂N₃ — CID 103582930

About N-[(5-amino-2-chlorophenyl)methyl]-5-bromo-3-chloro-N-methylpyridin-2-amine

N-[(5-amino-2-chlorophenyl)methyl]-5-bromo-3-chloro-N-methylpyridin-2-amine (PubChem CID 103582930) has the molecular formula C₁₃H₁₂BrCl₂N₃ and a molecular weight of 361.07 g/mol. Its IUPAC name is N-[(5-amino-2-chlorophenyl)methyl]-5-bromo-3-chloro-N-methylpyridin-2-amine.

Molecular Properties

• Compound Name: N-[(5-amino-2-chlorophenyl)methyl]-5-bromo-3-chloro-N-methylpyridin-2-amine
• PubChem CID: 103582930
• Molecular Formula: C₁₃H₁₂BrCl₂N₃
• Molecular Weight: 361.07 g/mol
• Exact Mass: 358.96
• IUPAC Name: N-[(5-amino-2-chlorophenyl)methyl]-5-bromo-3-chloro-N-methylpyridin-2-amine
• SMILES: CN(Cc1cc(N)ccc1Cl)c1ncc(Br)cc1Cl
• InChI: InChI=1S/C13H12BrCl2N3/c1-19(13-12(16)5-9(14)6-18-13)7-8-4-10(17)2-3-11(8)15/h2-6H,7,17H2,1H3
• InChIKey: LPQZUBVJKMHMSI-UHFFFAOYSA-N
• XLogP: 4.37
• TPSA: 42.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	361.07
LogP ≤ 5	4.37
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(5-amino-2-chlorophenyl)methyl]-5-bromo-3-chloro-N-methylpyridin-2-amine?

The IUPAC name of N-[(5-amino-2-chlorophenyl)methyl]-5-bromo-3-chloro-N-methylpyridin-2-amine (CID 103582930) is N-[(5-amino-2-chlorophenyl)methyl]-5-bromo-3-chloro-N-methylpyridin-2-amine.

What is the SMILES notation for N-[(5-amino-2-chlorophenyl)methyl]-5-bromo-3-chloro-N-methylpyridin-2-amine?

The canonical SMILES for N-[(5-amino-2-chlorophenyl)methyl]-5-bromo-3-chloro-N-methylpyridin-2-amine is CN(Cc1cc(N)ccc1Cl)c1ncc(Br)cc1Cl.

What is the InChIKey of N-[(5-amino-2-chlorophenyl)methyl]-5-bromo-3-chloro-N-methylpyridin-2-amine?

The InChIKey is LPQZUBVJKMHMSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrCl2N3/c1-19(13-12(16)5-9(14)6-18-13)7-8-4-10(17)2-3-11(8)15/h2-6H,7,17H2,1H3.

What are the key properties of N-[(5-amino-2-chlorophenyl)methyl]-5-bromo-3-chloro-N-methylpyridin-2-amine?

N-[(5-amino-2-chlorophenyl)methyl]-5-bromo-3-chloro-N-methylpyridin-2-amine has a molecular weight of 361.07 g/mol, XLogP of 4.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(5-amino-2-chlorophenyl)methyl]-5-bromo-3-chloro-N-methylpyridin-2-amine is sourced from PubChem (CID 103582930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 103582930 — identifiers, structure, computed properties (public domain)

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