4-chloro-2-(1,2,2-tripyridin-2-ylethyl)pyridine

C22H17ClN4 — CID 11552492

IUPAC4-chloro-2-(1,2,2-tripyridin-2-ylethyl)pyridine
SMILESClc1ccnc(C(c2ccccn2)C(c2ccccn2)c2ccccn2)c1
InChIInChI=1S/C22H17ClN4/c23-16-10-14-27-20(15-16)22(19-9-3-6-13-26-19)21(17-7-1-4-11-24-17)18-8-2-5-12-25-18/h1-15,21-22H
InChIKeyWNKBOOBSNBLLII-UHFFFAOYSA-N
MW372.86 g/mol
LogP4.88
Rot. Bonds5

About 4-chloro-2-(1,2,2-tripyridin-2-ylethyl)pyridine

4-chloro-2-(1,2,2-tripyridin-2-ylethyl)pyridine (PubChem CID 11552492) has the molecular formula C22H17ClN4 and a molecular weight of 372.86 g/mol. Its IUPAC name is 4-chloro-2-(1,2,2-tripyridin-2-ylethyl)pyridine.

Molecular Properties

Compound Name4-chloro-2-(1,2,2-tripyridin-2-ylethyl)pyridine
PubChem CID11552492
Molecular FormulaC22H17ClN4
Molecular Weight372.86 g/mol
Exact Mass372.11
IUPAC Name4-chloro-2-(1,2,2-tripyridin-2-ylethyl)pyridine
SMILESClc1ccnc(C(c2ccccn2)C(c2ccccn2)c2ccccn2)c1
InChIInChI=1S/C22H17ClN4/c23-16-10-14-27-20(15-16)22(19-9-3-6-13-26-19)21(17-7-1-4-11-24-17)18-8-2-5-12-25-18/h1-15,21-22H
InChIKeyWNKBOOBSNBLLII-UHFFFAOYSA-N
XLogP4.88
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.86
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(1,2,2-tripyridin-2-ylethyl)pyridine?
The IUPAC name of 4-chloro-2-(1,2,2-tripyridin-2-ylethyl)pyridine (CID 11552492) is 4-chloro-2-(1,2,2-tripyridin-2-ylethyl)pyridine.
What is the SMILES notation for 4-chloro-2-(1,2,2-tripyridin-2-ylethyl)pyridine?
The canonical SMILES for 4-chloro-2-(1,2,2-tripyridin-2-ylethyl)pyridine is Clc1ccnc(C(c2ccccn2)C(c2ccccn2)c2ccccn2)c1.
What is the InChIKey of 4-chloro-2-(1,2,2-tripyridin-2-ylethyl)pyridine?
The InChIKey is WNKBOOBSNBLLII-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN4/c23-16-10-14-27-20(15-16)22(19-9-3-6-13-26-19)21(17-7-1-4-11-24-17)18-8-2-5-12-25-18/h1-15,21-22H.
What are the key properties of 4-chloro-2-(1,2,2-tripyridin-2-ylethyl)pyridine?
4-chloro-2-(1,2,2-tripyridin-2-ylethyl)pyridine has a molecular weight of 372.86 g/mol, XLogP of 4.88, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(1,2,2-tripyridin-2-ylethyl)pyridine is sourced from PubChem (CID 11552492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).