3-bromo-N-(3-chloropropyl)pyridin-2-amine

C8H10BrClN2 — CID 65029830

IUPAC3-bromo-N-(3-chloropropyl)pyridin-2-amine
SMILESClCCCNc1ncccc1Br
InChIInChI=1S/C8H10BrClN2/c9-7-3-1-5-11-8(7)12-6-2-4-10/h1,3,5H,2,4,6H2,(H,11,12)
InChIKeyJAKJEQGELZUVMW-UHFFFAOYSA-N
MW249.54 g/mol
LogP2.88
Rot. Bonds4

About 3-bromo-N-(3-chloropropyl)pyridin-2-amine

3-bromo-N-(3-chloropropyl)pyridin-2-amine (PubChem CID 65029830) has the molecular formula C8H10BrClN2 and a molecular weight of 249.54 g/mol. Its IUPAC name is 3-bromo-N-(3-chloropropyl)pyridin-2-amine.

Molecular Properties

Compound Name3-bromo-N-(3-chloropropyl)pyridin-2-amine
PubChem CID65029830
Molecular FormulaC8H10BrClN2
Molecular Weight249.54 g/mol
Exact Mass247.97
IUPAC Name3-bromo-N-(3-chloropropyl)pyridin-2-amine
SMILESClCCCNc1ncccc1Br
InChIInChI=1S/C8H10BrClN2/c9-7-3-1-5-11-8(7)12-6-2-4-10/h1,3,5H,2,4,6H2,(H,11,12)
InChIKeyJAKJEQGELZUVMW-UHFFFAOYSA-N
XLogP2.88
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.54
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(3-chloropropyl)pyridin-2-amine?
The IUPAC name of 3-bromo-N-(3-chloropropyl)pyridin-2-amine (CID 65029830) is 3-bromo-N-(3-chloropropyl)pyridin-2-amine.
What is the SMILES notation for 3-bromo-N-(3-chloropropyl)pyridin-2-amine?
The canonical SMILES for 3-bromo-N-(3-chloropropyl)pyridin-2-amine is ClCCCNc1ncccc1Br.
What is the InChIKey of 3-bromo-N-(3-chloropropyl)pyridin-2-amine?
The InChIKey is JAKJEQGELZUVMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrClN2/c9-7-3-1-5-11-8(7)12-6-2-4-10/h1,3,5H,2,4,6H2,(H,11,12).
What are the key properties of 3-bromo-N-(3-chloropropyl)pyridin-2-amine?
3-bromo-N-(3-chloropropyl)pyridin-2-amine has a molecular weight of 249.54 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(3-chloropropyl)pyridin-2-amine is sourced from PubChem (CID 65029830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).