5-chloro-N-[3-(chloromethyl)phenyl]pyridin-2-amine

C12H10Cl2N2 — CID 65027600

IUPAC5-chloro-N-[3-(chloromethyl)phenyl]pyridin-2-amine
SMILESClCc1cccc(Nc2ccc(Cl)cn2)c1
InChIInChI=1S/C12H10Cl2N2/c13-7-9-2-1-3-11(6-9)16-12-5-4-10(14)8-15-12/h1-6,8H,7H2,(H,15,16)
InChIKeyGDODZDLEZRYNOX-UHFFFAOYSA-N
MW253.13 g/mol
LogP4.22
Rot. Bonds3

About 5-chloro-N-[3-(chloromethyl)phenyl]pyridin-2-amine

5-chloro-N-[3-(chloromethyl)phenyl]pyridin-2-amine (PubChem CID 65027600) has the molecular formula C12H10Cl2N2 and a molecular weight of 253.13 g/mol. Its IUPAC name is 5-chloro-N-[3-(chloromethyl)phenyl]pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-N-[3-(chloromethyl)phenyl]pyridin-2-amine
PubChem CID65027600
Molecular FormulaC12H10Cl2N2
Molecular Weight253.13 g/mol
Exact Mass252.02
IUPAC Name5-chloro-N-[3-(chloromethyl)phenyl]pyridin-2-amine
SMILESClCc1cccc(Nc2ccc(Cl)cn2)c1
InChIInChI=1S/C12H10Cl2N2/c13-7-9-2-1-3-11(6-9)16-12-5-4-10(14)8-15-12/h1-6,8H,7H2,(H,15,16)
InChIKeyGDODZDLEZRYNOX-UHFFFAOYSA-N
XLogP4.22
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.13
LogP ≤ 54.22
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-(chloromethyl)phenyl]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

N-[3-(chloromethyl)phenyl]-5-methylpyridin-2-amine
CID 65027661
5-chloro-N-(3-chlorophenyl)pyridin-2-amine
CID 66217838
5-chloro-N-(3-iodophenyl)pyridin-2-amine
CID 66220543
5-bromo-3-chloro-N-[3-(chloromethyl)phenyl]pyridin-2-amine
CID 103584097
5-chloro-N-(2,6-dibromophenyl)pyridin-2-amine
CID 107603065
N-[3-(chloromethyl)phenyl]-6-methoxypyrimidin-4-amine
CID 66318087
6-N-(3-chlorophenyl)-4-N-(5-chloro-2-pyridinyl)pyrimidine-4,5,6-triamine
CID 19147078
2-N-(3-ethylphenyl)pyridine-2,5-diamine
CID 20714461
N-[3-(chloromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine
CID 113390962
5-chloro-N-(3-chloro-5-fluorophenyl)pyridin-2-amine
CID 107370354
5-chloro-N-(3,4-dimethoxyphenyl)pyridin-2-amine
CID 66218090
4-N-(5-chloro-2-pyridinyl)-6-N-(3-methylphenyl)pyrimidine-4,5,6-triamine
CID 19147077

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[3-(chloromethyl)phenyl]pyridin-2-amine?
The IUPAC name of 5-chloro-N-[3-(chloromethyl)phenyl]pyridin-2-amine (CID 65027600) is 5-chloro-N-[3-(chloromethyl)phenyl]pyridin-2-amine.
What is the SMILES notation for 5-chloro-N-[3-(chloromethyl)phenyl]pyridin-2-amine?
The canonical SMILES for 5-chloro-N-[3-(chloromethyl)phenyl]pyridin-2-amine is ClCc1cccc(Nc2ccc(Cl)cn2)c1.
What is the InChIKey of 5-chloro-N-[3-(chloromethyl)phenyl]pyridin-2-amine?
The InChIKey is GDODZDLEZRYNOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N2/c13-7-9-2-1-3-11(6-9)16-12-5-4-10(14)8-15-12/h1-6,8H,7H2,(H,15,16).
What are the key properties of 5-chloro-N-[3-(chloromethyl)phenyl]pyridin-2-amine?
5-chloro-N-[3-(chloromethyl)phenyl]pyridin-2-amine has a molecular weight of 253.13 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[3-(chloromethyl)phenyl]pyridin-2-amine is sourced from PubChem (CID 65027600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).