2-(4-pyridin-2-ylcyclohexa-2,5-dien-1-yl)pyridine

C16H14N2 — CID 165176425

IUPAC2-(4-pyridin-2-ylcyclohexa-2,5-dien-1-yl)pyridine
SMILESC1=CC(c2ccccn2)C=CC1c1ccccn1
InChIInChI=1S/C16H14N2/c1-3-11-17-15(5-1)13-7-9-14(10-8-13)16-6-2-4-12-18-16/h1-14H
InChIKeyOFHYHPNTVSLMPA-UHFFFAOYSA-N
MW234.30 g/mol
LogP3.47
Rot. Bonds2

About 2-(4-pyridin-2-ylcyclohexa-2,5-dien-1-yl)pyridine

2-(4-pyridin-2-ylcyclohexa-2,5-dien-1-yl)pyridine (PubChem CID 165176425) has the molecular formula C16H14N2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 2-(4-pyridin-2-ylcyclohexa-2,5-dien-1-yl)pyridine.

Molecular Properties

Compound Name2-(4-pyridin-2-ylcyclohexa-2,5-dien-1-yl)pyridine
PubChem CID165176425
Molecular FormulaC16H14N2
Molecular Weight234.30 g/mol
Exact Mass234.12
IUPAC Name2-(4-pyridin-2-ylcyclohexa-2,5-dien-1-yl)pyridine
SMILESC1=CC(c2ccccn2)C=CC1c1ccccn1
InChIInChI=1S/C16H14N2/c1-3-11-17-15(5-1)13-7-9-14(10-8-13)16-6-2-4-12-18-16/h1-14H
InChIKeyOFHYHPNTVSLMPA-UHFFFAOYSA-N
XLogP3.47
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-pyridin-2-ylcyclohexa-2,5-dien-1-yl)pyridine?
The IUPAC name of 2-(4-pyridin-2-ylcyclohexa-2,5-dien-1-yl)pyridine (CID 165176425) is 2-(4-pyridin-2-ylcyclohexa-2,5-dien-1-yl)pyridine.
What is the SMILES notation for 2-(4-pyridin-2-ylcyclohexa-2,5-dien-1-yl)pyridine?
The canonical SMILES for 2-(4-pyridin-2-ylcyclohexa-2,5-dien-1-yl)pyridine is C1=CC(c2ccccn2)C=CC1c1ccccn1.
What is the InChIKey of 2-(4-pyridin-2-ylcyclohexa-2,5-dien-1-yl)pyridine?
The InChIKey is OFHYHPNTVSLMPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2/c1-3-11-17-15(5-1)13-7-9-14(10-8-13)16-6-2-4-12-18-16/h1-14H.
What are the key properties of 2-(4-pyridin-2-ylcyclohexa-2,5-dien-1-yl)pyridine?
2-(4-pyridin-2-ylcyclohexa-2,5-dien-1-yl)pyridine has a molecular weight of 234.30 g/mol, XLogP of 3.47, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-pyridin-2-ylcyclohexa-2,5-dien-1-yl)pyridine is sourced from PubChem (CID 165176425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).