2-chloro-4-phenyl-3-pyridin-2-ylpyridine

C16H11ClN2 — CID 174953397

IUPAC2-chloro-4-phenyl-3-pyridin-2-ylpyridine
SMILESClc1nccc(-c2ccccc2)c1-c1ccccn1
InChIInChI=1S/C16H11ClN2/c17-16-15(14-8-4-5-10-18-14)13(9-11-19-16)12-6-2-1-3-7-12/h1-11H
InChIKeyOZUXMJKRMLJGNA-UHFFFAOYSA-N
MW266.73 g/mol
LogP4.46
Rot. Bonds2

About 2-chloro-4-phenyl-3-pyridin-2-ylpyridine

2-chloro-4-phenyl-3-pyridin-2-ylpyridine (PubChem CID 174953397) has the molecular formula C16H11ClN2 and a molecular weight of 266.73 g/mol. Its IUPAC name is 2-chloro-4-phenyl-3-pyridin-2-ylpyridine.

Molecular Properties

Compound Name2-chloro-4-phenyl-3-pyridin-2-ylpyridine
PubChem CID174953397
Molecular FormulaC16H11ClN2
Molecular Weight266.73 g/mol
Exact Mass266.06
IUPAC Name2-chloro-4-phenyl-3-pyridin-2-ylpyridine
SMILESClc1nccc(-c2ccccc2)c1-c1ccccn1
InChIInChI=1S/C16H11ClN2/c17-16-15(14-8-4-5-10-18-14)13(9-11-19-16)12-6-2-1-3-7-12/h1-11H
InChIKeyOZUXMJKRMLJGNA-UHFFFAOYSA-N
XLogP4.46
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.73
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-4-phenyl-3-pyridin-2-ylpyridine?
The IUPAC name of 2-chloro-4-phenyl-3-pyridin-2-ylpyridine (CID 174953397) is 2-chloro-4-phenyl-3-pyridin-2-ylpyridine.
What is the SMILES notation for 2-chloro-4-phenyl-3-pyridin-2-ylpyridine?
The canonical SMILES for 2-chloro-4-phenyl-3-pyridin-2-ylpyridine is Clc1nccc(-c2ccccc2)c1-c1ccccn1.
What is the InChIKey of 2-chloro-4-phenyl-3-pyridin-2-ylpyridine?
The InChIKey is OZUXMJKRMLJGNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN2/c17-16-15(14-8-4-5-10-18-14)13(9-11-19-16)12-6-2-1-3-7-12/h1-11H.
What are the key properties of 2-chloro-4-phenyl-3-pyridin-2-ylpyridine?
2-chloro-4-phenyl-3-pyridin-2-ylpyridine has a molecular weight of 266.73 g/mol, XLogP of 4.46, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-phenyl-3-pyridin-2-ylpyridine is sourced from PubChem (CID 174953397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).