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

C8H10Cl2N2 — CID 65030223

IUPAC3-chloro-N-(3-chloropropyl)pyridin-2-amine
SMILESClCCCNc1ncccc1Cl
InChIInChI=1S/C8H10Cl2N2/c9-4-2-6-12-8-7(10)3-1-5-11-8/h1,3,5H,2,4,6H2,(H,11,12)
InChIKeyBNHOQKBZHPEXPZ-UHFFFAOYSA-N
MW205.09 g/mol
LogP2.78
Rot. Bonds4

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

3-chloro-N-(3-chloropropyl)pyridin-2-amine (PubChem CID 65030223) has the molecular formula C8H10Cl2N2 and a molecular weight of 205.09 g/mol. Its IUPAC name is 3-chloro-N-(3-chloropropyl)pyridin-2-amine.

Molecular Properties

Compound Name3-chloro-N-(3-chloropropyl)pyridin-2-amine
PubChem CID65030223
Molecular FormulaC8H10Cl2N2
Molecular Weight205.09 g/mol
Exact Mass204.02
IUPAC Name3-chloro-N-(3-chloropropyl)pyridin-2-amine
SMILESClCCCNc1ncccc1Cl
InChIInChI=1S/C8H10Cl2N2/c9-4-2-6-12-8-7(10)3-1-5-11-8/h1,3,5H,2,4,6H2,(H,11,12)
InChIKeyBNHOQKBZHPEXPZ-UHFFFAOYSA-N
XLogP2.78
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.09
LogP ≤ 52.78
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'}

Analyze 3-chloro-N-(3-chloropropyl)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

Related Compounds

3-bromo-N-(3-chloropropyl)pyridin-2-amine
CID 65029830
7-[(3-chloro-2-pyridinyl)amino]heptanoic acid
CID 24694576
3-chloro-N-(3,3-difluoropropyl)pyridin-2-amine
CID 130735662
3-bromo-N-(4-chlorobutyl)pyridin-2-amine
CID 86240809
N-[2-(4-aminophenyl)ethyl]-3-chloropyridin-2-amine
CID 61220420
N-[2-(azepan-1-yl)ethyl]-3-chloropyridin-2-amine
CID 61241551
3-chloro-N-(2-pyridin-3-ylethyl)pyridin-2-amine
CID 60914274
N-(3-chloro-2-pyridinyl)-N'-cyclohexyl-N'-methylpropane-1,3-diamine
CID 54880422
4-[(3-chloro-2-pyridinyl)amino]-N-cyclopropylbutanamide
CID 79401819
1-[(3-chloro-2-pyridinyl)amino]pentan-3-ol
CID 115702068
N-(6-chlorohexyl)-3-ethoxypyridin-2-amine
CID 107846423
3-chloro-N-(2-methylprop-2-enyl)pyridin-2-amine
CID 114617517

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(3-chloropropyl)pyridin-2-amine?
The IUPAC name of 3-chloro-N-(3-chloropropyl)pyridin-2-amine (CID 65030223) is 3-chloro-N-(3-chloropropyl)pyridin-2-amine.
What is the SMILES notation for 3-chloro-N-(3-chloropropyl)pyridin-2-amine?
The canonical SMILES for 3-chloro-N-(3-chloropropyl)pyridin-2-amine is ClCCCNc1ncccc1Cl.
What is the InChIKey of 3-chloro-N-(3-chloropropyl)pyridin-2-amine?
The InChIKey is BNHOQKBZHPEXPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10Cl2N2/c9-4-2-6-12-8-7(10)3-1-5-11-8/h1,3,5H,2,4,6H2,(H,11,12).
What are the key properties of 3-chloro-N-(3-chloropropyl)pyridin-2-amine?
3-chloro-N-(3-chloropropyl)pyridin-2-amine has a molecular weight of 205.09 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(3-chloropropyl)pyridin-2-amine is sourced from PubChem (CID 65030223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).