3-chloro-2,5,6-triphenylpyridine

C23H16ClN — CID 138963271

IUPAC3-chloro-2,5,6-triphenylpyridine
SMILESClc1cc(-c2ccccc2)c(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C23H16ClN/c24-21-16-20(17-10-4-1-5-11-17)22(18-12-6-2-7-13-18)25-23(21)19-14-8-3-9-15-19/h1-16H
InChIKeyHQIFRYKESFPINQ-UHFFFAOYSA-N
MW341.84 g/mol
LogP6.74
Rot. Bonds3

About 3-chloro-2,5,6-triphenylpyridine

3-chloro-2,5,6-triphenylpyridine (PubChem CID 138963271) has the molecular formula C23H16ClN and a molecular weight of 341.84 g/mol. Its IUPAC name is 3-chloro-2,5,6-triphenylpyridine.

Molecular Properties

Compound Name3-chloro-2,5,6-triphenylpyridine
PubChem CID138963271
Molecular FormulaC23H16ClN
Molecular Weight341.84 g/mol
Exact Mass341.10
IUPAC Name3-chloro-2,5,6-triphenylpyridine
SMILESClc1cc(-c2ccccc2)c(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C23H16ClN/c24-21-16-20(17-10-4-1-5-11-17)22(18-12-6-2-7-13-18)25-23(21)19-14-8-3-9-15-19/h1-16H
InChIKeyHQIFRYKESFPINQ-UHFFFAOYSA-N
XLogP6.74
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.84
LogP ≤ 56.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2,5,6-triphenylpyridine?
The IUPAC name of 3-chloro-2,5,6-triphenylpyridine (CID 138963271) is 3-chloro-2,5,6-triphenylpyridine.
What is the SMILES notation for 3-chloro-2,5,6-triphenylpyridine?
The canonical SMILES for 3-chloro-2,5,6-triphenylpyridine is Clc1cc(-c2ccccc2)c(-c2ccccc2)nc1-c1ccccc1.
What is the InChIKey of 3-chloro-2,5,6-triphenylpyridine?
The InChIKey is HQIFRYKESFPINQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16ClN/c24-21-16-20(17-10-4-1-5-11-17)22(18-12-6-2-7-13-18)25-23(21)19-14-8-3-9-15-19/h1-16H.
What are the key properties of 3-chloro-2,5,6-triphenylpyridine?
3-chloro-2,5,6-triphenylpyridine has a molecular weight of 341.84 g/mol, XLogP of 6.74, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2,5,6-triphenylpyridine is sourced from PubChem (CID 138963271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).