5-chloro-2-(chloromethyl)-4-phenylpyridine

C12H9Cl2N — CID 131531903

IUPAC5-chloro-2-(chloromethyl)-4-phenylpyridine
SMILESClCc1cc(-c2ccccc2)c(Cl)cn1
InChIInChI=1S/C12H9Cl2N/c13-7-10-6-11(12(14)8-15-10)9-4-2-1-3-5-9/h1-6,8H,7H2
InChIKeyJXFDZERANMQAIL-UHFFFAOYSA-N
MW238.12 g/mol
LogP4.14
Rot. Bonds2

About 5-chloro-2-(chloromethyl)-4-phenylpyridine

5-chloro-2-(chloromethyl)-4-phenylpyridine (PubChem CID 131531903) has the molecular formula C12H9Cl2N and a molecular weight of 238.12 g/mol. Its IUPAC name is 5-chloro-2-(chloromethyl)-4-phenylpyridine.

Molecular Properties

Compound Name5-chloro-2-(chloromethyl)-4-phenylpyridine
PubChem CID131531903
Molecular FormulaC12H9Cl2N
Molecular Weight238.12 g/mol
Exact Mass237.01
IUPAC Name5-chloro-2-(chloromethyl)-4-phenylpyridine
SMILESClCc1cc(-c2ccccc2)c(Cl)cn1
InChIInChI=1S/C12H9Cl2N/c13-7-10-6-11(12(14)8-15-10)9-4-2-1-3-5-9/h1-6,8H,7H2
InChIKeyJXFDZERANMQAIL-UHFFFAOYSA-N
XLogP4.14
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.12
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 5-chloro-2-(chloromethyl)-4-phenylpyridine 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

2-(chloromethyl)-4-fluoro-5-phenylpyridine
CID 131521075
5-chloro-4-phenylpyridin-2-amine
CID 53485508
3,6-bis(chloromethyl)-4-phenylpyridazine
CID 71493199
2-(chloromethyl)-5-phenylpyrazine
CID 19769444
2-chloro-6-(chloromethyl)-3-phenylpyridine
CID 19023694
2-(chloromethyl)-4-phenylquinoline
CID 70386210
1,2,4-trichloro-5-phenylbenzene
CID 27514
sulfane;bis(1,2,4-trichloro-5-phenylbenzene)
CID 173160003
(4-chloro-3-phenylphenyl)methanamine
CID 39231703
1,2,4-trichloro-5-(4-phenylphenyl)benzene
CID 90106451
6-(chloromethyl)-3-phenylpyridin-2-amine
CID 119015084
(5-methoxy-4-phenyl-2-pyridinyl)methanol
CID 131570308

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(chloromethyl)-4-phenylpyridine?
The IUPAC name of 5-chloro-2-(chloromethyl)-4-phenylpyridine (CID 131531903) is 5-chloro-2-(chloromethyl)-4-phenylpyridine.
What is the SMILES notation for 5-chloro-2-(chloromethyl)-4-phenylpyridine?
The canonical SMILES for 5-chloro-2-(chloromethyl)-4-phenylpyridine is ClCc1cc(-c2ccccc2)c(Cl)cn1.
What is the InChIKey of 5-chloro-2-(chloromethyl)-4-phenylpyridine?
The InChIKey is JXFDZERANMQAIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2N/c13-7-10-6-11(12(14)8-15-10)9-4-2-1-3-5-9/h1-6,8H,7H2.
What are the key properties of 5-chloro-2-(chloromethyl)-4-phenylpyridine?
5-chloro-2-(chloromethyl)-4-phenylpyridine has a molecular weight of 238.12 g/mol, XLogP of 4.14, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(chloromethyl)-4-phenylpyridine is sourced from PubChem (CID 131531903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).