3-(3-bromopentyl)pyridin-2-amine

C10H15BrN2 — CID 64508308

IUPAC3-(3-bromopentyl)pyridin-2-amine
SMILESCCC(Br)CCc1cccnc1N
InChIInChI=1S/C10H15BrN2/c1-2-9(11)6-5-8-4-3-7-13-10(8)12/h3-4,7,9H,2,5-6H2,1H3,(H2,12,13)
InChIKeyUPZRNKNLLSAZFY-UHFFFAOYSA-N
MW243.15 g/mol
LogP2.77
Rot. Bonds4

About 3-(3-bromopentyl)pyridin-2-amine

3-(3-bromopentyl)pyridin-2-amine (PubChem CID 64508308) has the molecular formula C10H15BrN2 and a molecular weight of 243.15 g/mol. Its IUPAC name is 3-(3-bromopentyl)pyridin-2-amine.

Molecular Properties

Compound Name3-(3-bromopentyl)pyridin-2-amine
PubChem CID64508308
Molecular FormulaC10H15BrN2
Molecular Weight243.15 g/mol
Exact Mass242.04
IUPAC Name3-(3-bromopentyl)pyridin-2-amine
SMILESCCC(Br)CCc1cccnc1N
InChIInChI=1S/C10H15BrN2/c1-2-9(11)6-5-8-4-3-7-13-10(8)12/h3-4,7,9H,2,5-6H2,1H3,(H2,12,13)
InChIKeyUPZRNKNLLSAZFY-UHFFFAOYSA-N
XLogP2.77
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.15
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(3-bromopentyl)pyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromopentyl)pyridin-2-amine?
The IUPAC name of 3-(3-bromopentyl)pyridin-2-amine (CID 64508308) is 3-(3-bromopentyl)pyridin-2-amine.
What is the SMILES notation for 3-(3-bromopentyl)pyridin-2-amine?
The canonical SMILES for 3-(3-bromopentyl)pyridin-2-amine is CCC(Br)CCc1cccnc1N.
What is the InChIKey of 3-(3-bromopentyl)pyridin-2-amine?
The InChIKey is UPZRNKNLLSAZFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2/c1-2-9(11)6-5-8-4-3-7-13-10(8)12/h3-4,7,9H,2,5-6H2,1H3,(H2,12,13).
What are the key properties of 3-(3-bromopentyl)pyridin-2-amine?
3-(3-bromopentyl)pyridin-2-amine has a molecular weight of 243.15 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromopentyl)pyridin-2-amine is sourced from PubChem (CID 64508308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).