2-[dichloro(phenyl)methyl]pyridine

C12H9Cl2N — CID 25254083

IUPAC2-[dichloro(phenyl)methyl]pyridine
SMILESClC(Cl)(c1ccccc1)c1ccccn1
InChIInChI=1S/C12H9Cl2N/c13-12(14,10-6-2-1-3-7-10)11-8-4-5-9-15-11/h1-9H
InChIKeyKILYIGWJZOEKFI-UHFFFAOYSA-N
MW238.12 g/mol
LogP3.76
Rot. Bonds2

About 2-[dichloro(phenyl)methyl]pyridine

2-[dichloro(phenyl)methyl]pyridine (PubChem CID 25254083) has the molecular formula C12H9Cl2N and a molecular weight of 238.12 g/mol. Its IUPAC name is 2-[dichloro(phenyl)methyl]pyridine.

Molecular Properties

Compound Name2-[dichloro(phenyl)methyl]pyridine
PubChem CID25254083
Molecular FormulaC12H9Cl2N
Molecular Weight238.12 g/mol
Exact Mass237.01
IUPAC Name2-[dichloro(phenyl)methyl]pyridine
SMILESClC(Cl)(c1ccccc1)c1ccccn1
InChIInChI=1S/C12H9Cl2N/c13-12(14,10-6-2-1-3-7-10)11-8-4-5-9-15-11/h1-9H
InChIKeyKILYIGWJZOEKFI-UHFFFAOYSA-N
XLogP3.76
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 ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[dichloro(phenyl)methyl]pyridine?
The IUPAC name of 2-[dichloro(phenyl)methyl]pyridine (CID 25254083) is 2-[dichloro(phenyl)methyl]pyridine.
What is the SMILES notation for 2-[dichloro(phenyl)methyl]pyridine?
The canonical SMILES for 2-[dichloro(phenyl)methyl]pyridine is ClC(Cl)(c1ccccc1)c1ccccn1.
What is the InChIKey of 2-[dichloro(phenyl)methyl]pyridine?
The InChIKey is KILYIGWJZOEKFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2N/c13-12(14,10-6-2-1-3-7-10)11-8-4-5-9-15-11/h1-9H.
What are the key properties of 2-[dichloro(phenyl)methyl]pyridine?
2-[dichloro(phenyl)methyl]pyridine has a molecular weight of 238.12 g/mol, XLogP of 3.76, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[dichloro(phenyl)methyl]pyridine is sourced from PubChem (CID 25254083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).