6-bromo-4-methanimidoyl-5-methylpyridin-3-amine

C7H8BrN3 — CID 155134306

IUPAC6-bromo-4-methanimidoyl-5-methylpyridin-3-amine
SMILES[H]/N=C/c1c(N)cnc(Br)c1C
InChIInChI=1S/C7H8BrN3/c1-4-5(2-9)6(10)3-11-7(4)8/h2-3,9H,10H2,1H3/b9-2+
InChIKeyLDXIRMHWLZJCNY-XNWCZRBMSA-N
MW214.07 g/mol
LogP1.73
Rot. Bonds1

About 6-bromo-4-methanimidoyl-5-methylpyridin-3-amine

6-bromo-4-methanimidoyl-5-methylpyridin-3-amine (PubChem CID 155134306) has the molecular formula C7H8BrN3 and a molecular weight of 214.07 g/mol. Its IUPAC name is 6-bromo-4-methanimidoyl-5-methylpyridin-3-amine.

Molecular Properties

Compound Name6-bromo-4-methanimidoyl-5-methylpyridin-3-amine
PubChem CID155134306
Molecular FormulaC7H8BrN3
Molecular Weight214.07 g/mol
Exact Mass212.99
IUPAC Name6-bromo-4-methanimidoyl-5-methylpyridin-3-amine
SMILES[H]/N=C/c1c(N)cnc(Br)c1C
InChIInChI=1S/C7H8BrN3/c1-4-5(2-9)6(10)3-11-7(4)8/h2-3,9H,10H2,1H3/b9-2+
InChIKeyLDXIRMHWLZJCNY-XNWCZRBMSA-N
XLogP1.73
TPSA62.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.07
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-methanimidoyl-5-methylpyridin-3-amine?
The IUPAC name of 6-bromo-4-methanimidoyl-5-methylpyridin-3-amine (CID 155134306) is 6-bromo-4-methanimidoyl-5-methylpyridin-3-amine.
What is the SMILES notation for 6-bromo-4-methanimidoyl-5-methylpyridin-3-amine?
The canonical SMILES for 6-bromo-4-methanimidoyl-5-methylpyridin-3-amine is [H]/N=C/c1c(N)cnc(Br)c1C.
What is the InChIKey of 6-bromo-4-methanimidoyl-5-methylpyridin-3-amine?
The InChIKey is LDXIRMHWLZJCNY-XNWCZRBMSA-N. The full InChI is InChI=1S/C7H8BrN3/c1-4-5(2-9)6(10)3-11-7(4)8/h2-3,9H,10H2,1H3/b9-2+.
What are the key properties of 6-bromo-4-methanimidoyl-5-methylpyridin-3-amine?
6-bromo-4-methanimidoyl-5-methylpyridin-3-amine has a molecular weight of 214.07 g/mol, XLogP of 1.73, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-methanimidoyl-5-methylpyridin-3-amine is sourced from PubChem (CID 155134306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).