2-chloro-5-phenylpyridine

C11H8ClN — CID 2762868

IUPAC2-chloro-5-phenylpyridine
SMILESClc1ccc(-c2ccccc2)cn1
InChIInChI=1S/C11H8ClN/c12-11-7-6-10(8-13-11)9-4-2-1-3-5-9/h1-8H
InChIKeyGPTCNPDHDYHZER-UHFFFAOYSA-N
MW189.64 g/mol
LogP3.40
Rot. Bonds1

About 2-chloro-5-phenylpyridine

2-chloro-5-phenylpyridine (PubChem CID 2762868) has the molecular formula C11H8ClN and a molecular weight of 189.64 g/mol. Its IUPAC name is 2-chloro-5-phenylpyridine.

Molecular Properties

Compound Name2-chloro-5-phenylpyridine
PubChem CID2762868
Molecular FormulaC11H8ClN
Molecular Weight189.64 g/mol
Exact Mass189.03
IUPAC Name2-chloro-5-phenylpyridine
SMILESClc1ccc(-c2ccccc2)cn1
InChIInChI=1S/C11H8ClN/c12-11-7-6-10(8-13-11)9-4-2-1-3-5-9/h1-8H
InChIKeyGPTCNPDHDYHZER-UHFFFAOYSA-N
XLogP3.40
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.64
LogP ≤ 53.40
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 2-chloro-5-phenylpyridine?
The IUPAC name of 2-chloro-5-phenylpyridine (CID 2762868) is 2-chloro-5-phenylpyridine.
What is the SMILES notation for 2-chloro-5-phenylpyridine?
The canonical SMILES for 2-chloro-5-phenylpyridine is Clc1ccc(-c2ccccc2)cn1.
What is the InChIKey of 2-chloro-5-phenylpyridine?
The InChIKey is GPTCNPDHDYHZER-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClN/c12-11-7-6-10(8-13-11)9-4-2-1-3-5-9/h1-8H.
What are the key properties of 2-chloro-5-phenylpyridine?
2-chloro-5-phenylpyridine has a molecular weight of 189.64 g/mol, XLogP of 3.40, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-phenylpyridine is sourced from PubChem (CID 2762868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).