2-[3-(2-chlorophenyl)-2-pyridinyl]-6-pyridin-2-ylpyridine

C21H14ClN3 — CID 175989001

IUPAC2-[3-(2-chlorophenyl)-2-pyridinyl]-6-pyridin-2-ylpyridine
SMILESClc1ccccc1-c1cccnc1-c1cccc(-c2ccccn2)n1
InChIInChI=1S/C21H14ClN3/c22-17-9-2-1-7-15(17)16-8-6-14-24-21(16)20-12-5-11-19(25-20)18-10-3-4-13-23-18/h1-14H
InChIKeyZHSLAIKXVODKJU-UHFFFAOYSA-N
MW343.82 g/mol
LogP5.53
Rot. Bonds3

About 2-[3-(2-chlorophenyl)-2-pyridinyl]-6-pyridin-2-ylpyridine

2-[3-(2-chlorophenyl)-2-pyridinyl]-6-pyridin-2-ylpyridine (PubChem CID 175989001) has the molecular formula C21H14ClN3 and a molecular weight of 343.82 g/mol. Its IUPAC name is 2-[3-(2-chlorophenyl)-2-pyridinyl]-6-pyridin-2-ylpyridine.

Molecular Properties

Compound Name2-[3-(2-chlorophenyl)-2-pyridinyl]-6-pyridin-2-ylpyridine
PubChem CID175989001
Molecular FormulaC21H14ClN3
Molecular Weight343.82 g/mol
Exact Mass343.09
IUPAC Name2-[3-(2-chlorophenyl)-2-pyridinyl]-6-pyridin-2-ylpyridine
SMILESClc1ccccc1-c1cccnc1-c1cccc(-c2ccccn2)n1
InChIInChI=1S/C21H14ClN3/c22-17-9-2-1-7-15(17)16-8-6-14-24-21(16)20-12-5-11-19(25-20)18-10-3-4-13-23-18/h1-14H
InChIKeyZHSLAIKXVODKJU-UHFFFAOYSA-N
XLogP5.53
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.82
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-chlorophenyl)-2-pyridinyl]-6-pyridin-2-ylpyridine?
The IUPAC name of 2-[3-(2-chlorophenyl)-2-pyridinyl]-6-pyridin-2-ylpyridine (CID 175989001) is 2-[3-(2-chlorophenyl)-2-pyridinyl]-6-pyridin-2-ylpyridine.
What is the SMILES notation for 2-[3-(2-chlorophenyl)-2-pyridinyl]-6-pyridin-2-ylpyridine?
The canonical SMILES for 2-[3-(2-chlorophenyl)-2-pyridinyl]-6-pyridin-2-ylpyridine is Clc1ccccc1-c1cccnc1-c1cccc(-c2ccccn2)n1.
What is the InChIKey of 2-[3-(2-chlorophenyl)-2-pyridinyl]-6-pyridin-2-ylpyridine?
The InChIKey is ZHSLAIKXVODKJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14ClN3/c22-17-9-2-1-7-15(17)16-8-6-14-24-21(16)20-12-5-11-19(25-20)18-10-3-4-13-23-18/h1-14H.
What are the key properties of 2-[3-(2-chlorophenyl)-2-pyridinyl]-6-pyridin-2-ylpyridine?
2-[3-(2-chlorophenyl)-2-pyridinyl]-6-pyridin-2-ylpyridine has a molecular weight of 343.82 g/mol, XLogP of 5.53, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-chlorophenyl)-2-pyridinyl]-6-pyridin-2-ylpyridine is sourced from PubChem (CID 175989001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).