3-benzyl-2-chloropyridine

C12H10ClN — CID 22768075

IUPAC3-benzyl-2-chloropyridine
SMILESClc1ncccc1Cc1ccccc1
InChIInChI=1S/C12H10ClN/c13-12-11(7-4-8-14-12)9-10-5-2-1-3-6-10/h1-8H,9H2
InChIKeyCWMYMHVCMHSROH-UHFFFAOYSA-N
MW203.67 g/mol
LogP3.33
Rot. Bonds2

About 3-benzyl-2-chloropyridine

3-benzyl-2-chloropyridine (PubChem CID 22768075) has the molecular formula C12H10ClN and a molecular weight of 203.67 g/mol. Its IUPAC name is 3-benzyl-2-chloropyridine.

Molecular Properties

Compound Name3-benzyl-2-chloropyridine
PubChem CID22768075
Molecular FormulaC12H10ClN
Molecular Weight203.67 g/mol
Exact Mass203.05
IUPAC Name3-benzyl-2-chloropyridine
SMILESClc1ncccc1Cc1ccccc1
InChIInChI=1S/C12H10ClN/c13-12-11(7-4-8-14-12)9-10-5-2-1-3-6-10/h1-8H,9H2
InChIKeyCWMYMHVCMHSROH-UHFFFAOYSA-N
XLogP3.33
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.67
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-2-chloropyridine?
The IUPAC name of 3-benzyl-2-chloropyridine (CID 22768075) is 3-benzyl-2-chloropyridine.
What is the SMILES notation for 3-benzyl-2-chloropyridine?
The canonical SMILES for 3-benzyl-2-chloropyridine is Clc1ncccc1Cc1ccccc1.
What is the InChIKey of 3-benzyl-2-chloropyridine?
The InChIKey is CWMYMHVCMHSROH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN/c13-12-11(7-4-8-14-12)9-10-5-2-1-3-6-10/h1-8H,9H2.
What are the key properties of 3-benzyl-2-chloropyridine?
3-benzyl-2-chloropyridine has a molecular weight of 203.67 g/mol, XLogP of 3.33, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-2-chloropyridine is sourced from PubChem (CID 22768075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).