5,6-bis(ethenyl)pyridine-3-carbonyl fluoride

C10H8FNO — CID 143985107

IUPAC5,6-bis(ethenyl)pyridine-3-carbonyl fluoride
SMILESC=Cc1cc(C(=O)F)cnc1C=C
InChIInChI=1S/C10H8FNO/c1-3-7-5-8(10(11)13)6-12-9(7)4-2/h3-6H,1-2H2
InChIKeyYDCPWPHBVAEVNR-UHFFFAOYSA-N
MW177.18 g/mol
LogP2.48
Rot. Bonds3

About 5,6-bis(ethenyl)pyridine-3-carbonyl fluoride

5,6-bis(ethenyl)pyridine-3-carbonyl fluoride (PubChem CID 143985107) has the molecular formula C10H8FNO and a molecular weight of 177.18 g/mol. Its IUPAC name is 5,6-bis(ethenyl)pyridine-3-carbonyl fluoride.

Molecular Properties

Compound Name5,6-bis(ethenyl)pyridine-3-carbonyl fluoride
PubChem CID143985107
Molecular FormulaC10H8FNO
Molecular Weight177.18 g/mol
Exact Mass177.06
IUPAC Name5,6-bis(ethenyl)pyridine-3-carbonyl fluoride
SMILESC=Cc1cc(C(=O)F)cnc1C=C
InChIInChI=1S/C10H8FNO/c1-3-7-5-8(10(11)13)6-12-9(7)4-2/h3-6H,1-2H2
InChIKeyYDCPWPHBVAEVNR-UHFFFAOYSA-N
XLogP2.48
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.18
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,6-bis(ethenyl)pyridine-3-carbonyl fluoride?
The IUPAC name of 5,6-bis(ethenyl)pyridine-3-carbonyl fluoride (CID 143985107) is 5,6-bis(ethenyl)pyridine-3-carbonyl fluoride.
What is the SMILES notation for 5,6-bis(ethenyl)pyridine-3-carbonyl fluoride?
The canonical SMILES for 5,6-bis(ethenyl)pyridine-3-carbonyl fluoride is C=Cc1cc(C(=O)F)cnc1C=C.
What is the InChIKey of 5,6-bis(ethenyl)pyridine-3-carbonyl fluoride?
The InChIKey is YDCPWPHBVAEVNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FNO/c1-3-7-5-8(10(11)13)6-12-9(7)4-2/h3-6H,1-2H2.
What are the key properties of 5,6-bis(ethenyl)pyridine-3-carbonyl fluoride?
5,6-bis(ethenyl)pyridine-3-carbonyl fluoride has a molecular weight of 177.18 g/mol, XLogP of 2.48, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-bis(ethenyl)pyridine-3-carbonyl fluoride is sourced from PubChem (CID 143985107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).