5-bromo-6-chloropyridin-3-amine

C5H4BrClN2 — CID 14595221

IUPAC5-bromo-6-chloropyridin-3-amine
SMILESNc1cnc(Cl)c(Br)c1
InChIInChI=1S/C5H4BrClN2/c6-4-1-3(8)2-9-5(4)7/h1-2H,8H2
InChIKeyISKBXMMELYRESC-UHFFFAOYSA-N
MW207.46 g/mol
LogP2.08
Rot. Bonds

About 5-bromo-6-chloropyridin-3-amine

5-bromo-6-chloropyridin-3-amine (PubChem CID 14595221) has the molecular formula C5H4BrClN2 and a molecular weight of 207.46 g/mol. Its IUPAC name is 5-bromo-6-chloropyridin-3-amine.

Molecular Properties

Compound Name5-bromo-6-chloropyridin-3-amine
PubChem CID14595221
Molecular FormulaC5H4BrClN2
Molecular Weight207.46 g/mol
Exact Mass205.92
IUPAC Name5-bromo-6-chloropyridin-3-amine
SMILESNc1cnc(Cl)c(Br)c1
InChIInChI=1S/C5H4BrClN2/c6-4-1-3(8)2-9-5(4)7/h1-2H,8H2
InChIKeyISKBXMMELYRESC-UHFFFAOYSA-N
XLogP2.08
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.46
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-chloropyridin-3-amine?
The IUPAC name of 5-bromo-6-chloropyridin-3-amine (CID 14595221) is 5-bromo-6-chloropyridin-3-amine.
What is the SMILES notation for 5-bromo-6-chloropyridin-3-amine?
The canonical SMILES for 5-bromo-6-chloropyridin-3-amine is Nc1cnc(Cl)c(Br)c1.
What is the InChIKey of 5-bromo-6-chloropyridin-3-amine?
The InChIKey is ISKBXMMELYRESC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4BrClN2/c6-4-1-3(8)2-9-5(4)7/h1-2H,8H2.
What are the key properties of 5-bromo-6-chloropyridin-3-amine?
5-bromo-6-chloropyridin-3-amine has a molecular weight of 207.46 g/mol, XLogP of 2.08, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-chloropyridin-3-amine is sourced from PubChem (CID 14595221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).