2-chloro-N-(1-pyridin-2-ylethyl)pyridin-3-amine

C12H12ClN3 — CID 43689899

IUPAC2-chloro-N-(1-pyridin-2-ylethyl)pyridin-3-amine
SMILESCC(Nc1cccnc1Cl)c1ccccn1
InChIInChI=1S/C12H12ClN3/c1-9(10-5-2-3-7-14-10)16-11-6-4-8-15-12(11)13/h2-9,16H,1H3
InChIKeyHVWFSERFWNLNEZ-UHFFFAOYSA-N
MW233.70 g/mol
LogP3.30
Rot. Bonds3

About 2-chloro-N-(1-pyridin-2-ylethyl)pyridin-3-amine

2-chloro-N-(1-pyridin-2-ylethyl)pyridin-3-amine (PubChem CID 43689899) has the molecular formula C12H12ClN3 and a molecular weight of 233.70 g/mol. Its IUPAC name is 2-chloro-N-(1-pyridin-2-ylethyl)pyridin-3-amine.

Molecular Properties

Compound Name2-chloro-N-(1-pyridin-2-ylethyl)pyridin-3-amine
PubChem CID43689899
Molecular FormulaC12H12ClN3
Molecular Weight233.70 g/mol
Exact Mass233.07
IUPAC Name2-chloro-N-(1-pyridin-2-ylethyl)pyridin-3-amine
SMILESCC(Nc1cccnc1Cl)c1ccccn1
InChIInChI=1S/C12H12ClN3/c1-9(10-5-2-3-7-14-10)16-11-6-4-8-15-12(11)13/h2-9,16H,1H3
InChIKeyHVWFSERFWNLNEZ-UHFFFAOYSA-N
XLogP3.30
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.70
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-chloro-N-(1-pyridin-2-ylethyl)pyridin-3-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

4-chloro-N-(1-pyridin-2-ylethyl)aniline
CID 43194293
2,3-dimethyl-N-(1-pyridin-2-ylethyl)aniline
CID 43196433
2-ethoxy-N-(1-pyridin-2-ylethyl)pyridin-3-amine
CID 43706285
4-[1-[(2-chloro-3-pyridinyl)amino]ethyl]phenol
CID 43689985
4-chloro-1-N-(1-pyridin-2-ylethyl)benzene-1,2-diamine
CID 43524369
5-(1-pyridin-2-ylethylamino)naphthalen-1-ol
CID 43742985
2-ethoxy-N-(1-pyridin-2-ylethyl)aniline
CID 43191702
2-pyrazol-1-yl-N-(1-pyridin-2-ylethyl)pyridin-3-amine
CID 43736964
2-[(dimethylamino)methyl]-N-(1-pyridin-2-ylethyl)aniline
CID 43750131
4-chloro-2,5-dimethoxy-N-(1-pyridin-2-ylethyl)aniline
CID 43192168
4-chloro-1-N,1-N-dimethyl-2-N-(1-pyridin-2-ylethyl)benzene-1,2-diamine
CID 43741094
2,5-dimethyl-N-(1-pyridin-2-ylethyl)aniline
CID 43196549

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1-pyridin-2-ylethyl)pyridin-3-amine?
The IUPAC name of 2-chloro-N-(1-pyridin-2-ylethyl)pyridin-3-amine (CID 43689899) is 2-chloro-N-(1-pyridin-2-ylethyl)pyridin-3-amine.
What is the SMILES notation for 2-chloro-N-(1-pyridin-2-ylethyl)pyridin-3-amine?
The canonical SMILES for 2-chloro-N-(1-pyridin-2-ylethyl)pyridin-3-amine is CC(Nc1cccnc1Cl)c1ccccn1.
What is the InChIKey of 2-chloro-N-(1-pyridin-2-ylethyl)pyridin-3-amine?
The InChIKey is HVWFSERFWNLNEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3/c1-9(10-5-2-3-7-14-10)16-11-6-4-8-15-12(11)13/h2-9,16H,1H3.
What are the key properties of 2-chloro-N-(1-pyridin-2-ylethyl)pyridin-3-amine?
2-chloro-N-(1-pyridin-2-ylethyl)pyridin-3-amine has a molecular weight of 233.70 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1-pyridin-2-ylethyl)pyridin-3-amine is sourced from PubChem (CID 43689899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).