5-chloro-N-(3-chlorobutyl)pyridin-2-amine

C9H12Cl2N2 — CID 65028422

IUPAC5-chloro-N-(3-chlorobutyl)pyridin-2-amine
SMILESCC(Cl)CCNc1ccc(Cl)cn1
InChIInChI=1S/C9H12Cl2N2/c1-7(10)4-5-12-9-3-2-8(11)6-13-9/h2-3,6-7H,4-5H2,1H3,(H,12,13)
InChIKeyNYLXOUGJGWHXMF-UHFFFAOYSA-N
MW219.12 g/mol
LogP3.16
Rot. Bonds4

About 5-chloro-N-(3-chlorobutyl)pyridin-2-amine

5-chloro-N-(3-chlorobutyl)pyridin-2-amine (PubChem CID 65028422) has the molecular formula C9H12Cl2N2 and a molecular weight of 219.12 g/mol. Its IUPAC name is 5-chloro-N-(3-chlorobutyl)pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-N-(3-chlorobutyl)pyridin-2-amine
PubChem CID65028422
Molecular FormulaC9H12Cl2N2
Molecular Weight219.12 g/mol
Exact Mass218.04
IUPAC Name5-chloro-N-(3-chlorobutyl)pyridin-2-amine
SMILESCC(Cl)CCNc1ccc(Cl)cn1
InChIInChI=1S/C9H12Cl2N2/c1-7(10)4-5-12-9-3-2-8(11)6-13-9/h2-3,6-7H,4-5H2,1H3,(H,12,13)
InChIKeyNYLXOUGJGWHXMF-UHFFFAOYSA-N
XLogP3.16
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.12
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-chloro-N-(3-chlorobutyl)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 5-chloro-N-(3-chlorobutyl)pyridin-2-amine?
The IUPAC name of 5-chloro-N-(3-chlorobutyl)pyridin-2-amine (CID 65028422) is 5-chloro-N-(3-chlorobutyl)pyridin-2-amine.
What is the SMILES notation for 5-chloro-N-(3-chlorobutyl)pyridin-2-amine?
The canonical SMILES for 5-chloro-N-(3-chlorobutyl)pyridin-2-amine is CC(Cl)CCNc1ccc(Cl)cn1.
What is the InChIKey of 5-chloro-N-(3-chlorobutyl)pyridin-2-amine?
The InChIKey is NYLXOUGJGWHXMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12Cl2N2/c1-7(10)4-5-12-9-3-2-8(11)6-13-9/h2-3,6-7H,4-5H2,1H3,(H,12,13).
What are the key properties of 5-chloro-N-(3-chlorobutyl)pyridin-2-amine?
5-chloro-N-(3-chlorobutyl)pyridin-2-amine has a molecular weight of 219.12 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(3-chlorobutyl)pyridin-2-amine is sourced from PubChem (CID 65028422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).