3-fluoro-4-iodo-2-methylidene-1-[(Z)-prop-1-enyl]pyridine

C9H9FIN — CID 88952431

IUPAC3-fluoro-4-iodo-2-methylidene-1-[(Z)-prop-1-enyl]pyridine
SMILESC=C1C(F)=C(I)C=CN1/C=C\C
InChIInChI=1S/C9H9FIN/c1-3-5-12-6-4-8(11)9(10)7(12)2/h3-6H,2H2,1H3/b5-3-
InChIKeyCXFGZMXJNCPEOK-HYXAFXHYSA-N
MW277.08 g/mol
LogP3.48
Rot. Bonds1

About 3-fluoro-4-iodo-2-methylidene-1-[(Z)-prop-1-enyl]pyridine

3-fluoro-4-iodo-2-methylidene-1-[(Z)-prop-1-enyl]pyridine (PubChem CID 88952431) has the molecular formula C9H9FIN and a molecular weight of 277.08 g/mol. Its IUPAC name is 3-fluoro-4-iodo-2-methylidene-1-[(Z)-prop-1-enyl]pyridine.

Molecular Properties

Compound Name3-fluoro-4-iodo-2-methylidene-1-[(Z)-prop-1-enyl]pyridine
PubChem CID88952431
Molecular FormulaC9H9FIN
Molecular Weight277.08 g/mol
Exact Mass276.98
IUPAC Name3-fluoro-4-iodo-2-methylidene-1-[(Z)-prop-1-enyl]pyridine
SMILESC=C1C(F)=C(I)C=CN1/C=C\C
InChIInChI=1S/C9H9FIN/c1-3-5-12-6-4-8(11)9(10)7(12)2/h3-6H,2H2,1H3/b5-3-
InChIKeyCXFGZMXJNCPEOK-HYXAFXHYSA-N
XLogP3.48
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.08
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-iodo-2-methylidene-1-[(Z)-prop-1-enyl]pyridine?
The IUPAC name of 3-fluoro-4-iodo-2-methylidene-1-[(Z)-prop-1-enyl]pyridine (CID 88952431) is 3-fluoro-4-iodo-2-methylidene-1-[(Z)-prop-1-enyl]pyridine.
What is the SMILES notation for 3-fluoro-4-iodo-2-methylidene-1-[(Z)-prop-1-enyl]pyridine?
The canonical SMILES for 3-fluoro-4-iodo-2-methylidene-1-[(Z)-prop-1-enyl]pyridine is C=C1C(F)=C(I)C=CN1/C=C\C.
What is the InChIKey of 3-fluoro-4-iodo-2-methylidene-1-[(Z)-prop-1-enyl]pyridine?
The InChIKey is CXFGZMXJNCPEOK-HYXAFXHYSA-N. The full InChI is InChI=1S/C9H9FIN/c1-3-5-12-6-4-8(11)9(10)7(12)2/h3-6H,2H2,1H3/b5-3-.
What are the key properties of 3-fluoro-4-iodo-2-methylidene-1-[(Z)-prop-1-enyl]pyridine?
3-fluoro-4-iodo-2-methylidene-1-[(Z)-prop-1-enyl]pyridine has a molecular weight of 277.08 g/mol, XLogP of 3.48, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-iodo-2-methylidene-1-[(Z)-prop-1-enyl]pyridine is sourced from PubChem (CID 88952431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).