2-(1,4-difluorocyclohexa-2,4-dien-1-yl)pyridine

C11H9F2N — CID 68657310

IUPAC2-(1,4-difluorocyclohexa-2,4-dien-1-yl)pyridine
SMILESFC1=CCC(F)(c2ccccn2)C=C1
InChIInChI=1S/C11H9F2N/c12-9-4-6-11(13,7-5-9)10-3-1-2-8-14-10/h1-6,8H,7H2
InChIKeyTVQJKXNWKNWXSC-UHFFFAOYSA-N
MW193.20 g/mol
LogP3.06
Rot. Bonds1

About 2-(1,4-difluorocyclohexa-2,4-dien-1-yl)pyridine

2-(1,4-difluorocyclohexa-2,4-dien-1-yl)pyridine (PubChem CID 68657310) has the molecular formula C11H9F2N and a molecular weight of 193.20 g/mol. Its IUPAC name is 2-(1,4-difluorocyclohexa-2,4-dien-1-yl)pyridine.

Molecular Properties

Compound Name2-(1,4-difluorocyclohexa-2,4-dien-1-yl)pyridine
PubChem CID68657310
Molecular FormulaC11H9F2N
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC Name2-(1,4-difluorocyclohexa-2,4-dien-1-yl)pyridine
SMILESFC1=CCC(F)(c2ccccn2)C=C1
InChIInChI=1S/C11H9F2N/c12-9-4-6-11(13,7-5-9)10-3-1-2-8-14-10/h1-6,8H,7H2
InChIKeyTVQJKXNWKNWXSC-UHFFFAOYSA-N
XLogP3.06
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(1,4-difluorocyclohexa-2,4-dien-1-yl)pyridine?
The IUPAC name of 2-(1,4-difluorocyclohexa-2,4-dien-1-yl)pyridine (CID 68657310) is 2-(1,4-difluorocyclohexa-2,4-dien-1-yl)pyridine.
What is the SMILES notation for 2-(1,4-difluorocyclohexa-2,4-dien-1-yl)pyridine?
The canonical SMILES for 2-(1,4-difluorocyclohexa-2,4-dien-1-yl)pyridine is FC1=CCC(F)(c2ccccn2)C=C1.
What is the InChIKey of 2-(1,4-difluorocyclohexa-2,4-dien-1-yl)pyridine?
The InChIKey is TVQJKXNWKNWXSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F2N/c12-9-4-6-11(13,7-5-9)10-3-1-2-8-14-10/h1-6,8H,7H2.
What are the key properties of 2-(1,4-difluorocyclohexa-2,4-dien-1-yl)pyridine?
2-(1,4-difluorocyclohexa-2,4-dien-1-yl)pyridine has a molecular weight of 193.20 g/mol, XLogP of 3.06, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-difluorocyclohexa-2,4-dien-1-yl)pyridine is sourced from PubChem (CID 68657310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).