2-(4-chlorocyclohexa-1,3-dien-1-yl)pyridine

C11H10ClN — CID 156543167

IUPAC2-(4-chlorocyclohexa-1,3-dien-1-yl)pyridine
SMILESClC1=CC=C(c2ccccn2)CC1
InChIInChI=1S/C11H10ClN/c12-10-6-4-9(5-7-10)11-3-1-2-8-13-11/h1-4,6,8H,5,7H2
InChIKeyUGFZTDSVWVLXNJ-UHFFFAOYSA-N
MW191.66 g/mol
LogP3.38
Rot. Bonds1

About 2-(4-chlorocyclohexa-1,3-dien-1-yl)pyridine

2-(4-chlorocyclohexa-1,3-dien-1-yl)pyridine (PubChem CID 156543167) has the molecular formula C11H10ClN and a molecular weight of 191.66 g/mol. Its IUPAC name is 2-(4-chlorocyclohexa-1,3-dien-1-yl)pyridine.

Molecular Properties

Compound Name2-(4-chlorocyclohexa-1,3-dien-1-yl)pyridine
PubChem CID156543167
Molecular FormulaC11H10ClN
Molecular Weight191.66 g/mol
Exact Mass191.05
IUPAC Name2-(4-chlorocyclohexa-1,3-dien-1-yl)pyridine
SMILESClC1=CC=C(c2ccccn2)CC1
InChIInChI=1S/C11H10ClN/c12-10-6-4-9(5-7-10)11-3-1-2-8-13-11/h1-4,6,8H,5,7H2
InChIKeyUGFZTDSVWVLXNJ-UHFFFAOYSA-N
XLogP3.38
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.66
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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bis(2-pyridin-2-ylpyridine);ruthenium
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nickel;tris(2-pyridin-2-ylpyridine)
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2-pyridin-2-ylpyridine;dihydroiodide
CID 173445353
5,8,13,16-tetrapyridin-2-yl-6,7,14,15-tetrazatricyclo[10.4.0.04,9]hexadeca-1(12),4(9),5,7,13,15-hexaene
CID 101424910
2-(2,3-dihydro-1H-pyrrol-4-yl)pyridine
CID 88971870
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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorocyclohexa-1,3-dien-1-yl)pyridine?
The IUPAC name of 2-(4-chlorocyclohexa-1,3-dien-1-yl)pyridine (CID 156543167) is 2-(4-chlorocyclohexa-1,3-dien-1-yl)pyridine.
What is the SMILES notation for 2-(4-chlorocyclohexa-1,3-dien-1-yl)pyridine?
The canonical SMILES for 2-(4-chlorocyclohexa-1,3-dien-1-yl)pyridine is ClC1=CC=C(c2ccccn2)CC1.
What is the InChIKey of 2-(4-chlorocyclohexa-1,3-dien-1-yl)pyridine?
The InChIKey is UGFZTDSVWVLXNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN/c12-10-6-4-9(5-7-10)11-3-1-2-8-13-11/h1-4,6,8H,5,7H2.
What are the key properties of 2-(4-chlorocyclohexa-1,3-dien-1-yl)pyridine?
2-(4-chlorocyclohexa-1,3-dien-1-yl)pyridine has a molecular weight of 191.66 g/mol, XLogP of 3.38, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorocyclohexa-1,3-dien-1-yl)pyridine is sourced from PubChem (CID 156543167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).