2-(4-fluorocyclohexa-2,4-dien-1-ylidene)-1H-pyridine

C11H10FN — CID 172878565

IUPAC2-(4-fluorocyclohexa-2,4-dien-1-ylidene)-1H-pyridine
SMILESFC1=CCC(=C2C=CC=CN2)C=C1
InChIInChI=1S/C11H10FN/c12-10-6-4-9(5-7-10)11-3-1-2-8-13-11/h1-4,6-8,13H,5H2
InChIKeyLPLGSDCHXRRIDE-UHFFFAOYSA-N
MW175.21 g/mol
LogP2.73
Rot. Bonds

About 2-(4-fluorocyclohexa-2,4-dien-1-ylidene)-1H-pyridine

2-(4-fluorocyclohexa-2,4-dien-1-ylidene)-1H-pyridine (PubChem CID 172878565) has the molecular formula C11H10FN and a molecular weight of 175.21 g/mol. Its IUPAC name is 2-(4-fluorocyclohexa-2,4-dien-1-ylidene)-1H-pyridine.

Molecular Properties

Compound Name2-(4-fluorocyclohexa-2,4-dien-1-ylidene)-1H-pyridine
PubChem CID172878565
Molecular FormulaC11H10FN
Molecular Weight175.21 g/mol
Exact Mass175.08
IUPAC Name2-(4-fluorocyclohexa-2,4-dien-1-ylidene)-1H-pyridine
SMILESFC1=CCC(=C2C=CC=CN2)C=C1
InChIInChI=1S/C11H10FN/c12-10-6-4-9(5-7-10)11-3-1-2-8-13-11/h1-4,6-8,13H,5H2
InChIKeyLPLGSDCHXRRIDE-UHFFFAOYSA-N
XLogP2.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.21
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 57086633
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2,3-Dihydroisoquinoline
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1,2,3,5-Tetrahydroquinoline
CID 20349835
Cyclohepta[1,2-b]pyridine
CID 22270306
Cyclopentaquinoline
CID 87329973
Cycloheptaquinoline
CID 87491065
3,3-Dimethylisoquinoline
CID 129780060
Cyclohexylidenepyridine
CID 129814763
2-fluoro-2,3-dimethyl-1H-pyridine
CID 22615259
2-fluoro-2-[(Z)-2-(2-fluoro-1H-pyridin-2-yl)ethenyl]-1H-pyridine
CID 67600336
1-(fluoromethyl)-2H-quinolizine
CID 67907299

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorocyclohexa-2,4-dien-1-ylidene)-1H-pyridine?
The IUPAC name of 2-(4-fluorocyclohexa-2,4-dien-1-ylidene)-1H-pyridine (CID 172878565) is 2-(4-fluorocyclohexa-2,4-dien-1-ylidene)-1H-pyridine.
What is the SMILES notation for 2-(4-fluorocyclohexa-2,4-dien-1-ylidene)-1H-pyridine?
The canonical SMILES for 2-(4-fluorocyclohexa-2,4-dien-1-ylidene)-1H-pyridine is FC1=CCC(=C2C=CC=CN2)C=C1.
What is the InChIKey of 2-(4-fluorocyclohexa-2,4-dien-1-ylidene)-1H-pyridine?
The InChIKey is LPLGSDCHXRRIDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN/c12-10-6-4-9(5-7-10)11-3-1-2-8-13-11/h1-4,6-8,13H,5H2.
What are the key properties of 2-(4-fluorocyclohexa-2,4-dien-1-ylidene)-1H-pyridine?
2-(4-fluorocyclohexa-2,4-dien-1-ylidene)-1H-pyridine has a molecular weight of 175.21 g/mol, XLogP of 2.73, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorocyclohexa-2,4-dien-1-ylidene)-1H-pyridine is sourced from PubChem (CID 172878565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).