3-[(1E)-1-(5-fluoro-2,3-dihydroinden-1-ylidene)ethyl]pyridine

C16H14FN — CID 6539814

IUPAC3-[(1E)-1-(5-fluoro-2,3-dihydroinden-1-ylidene)ethyl]pyridine
SMILESC/C(=C1/CCc2cc(F)ccc21)c1cccnc1
InChIInChI=1S/C16H14FN/c1-11(13-3-2-8-18-10-13)15-6-4-12-9-14(17)5-7-16(12)15/h2-3,5,7-10H,4,6H2,1H3/b15-11+
InChIKeyODPLNTNLMCPYEL-RVDMUPIBSA-N
MW239.29 g/mol
LogP4.10
Rot. Bonds1

About 3-[(1E)-1-(5-fluoro-2,3-dihydroinden-1-ylidene)ethyl]pyridine

3-[(1E)-1-(5-fluoro-2,3-dihydroinden-1-ylidene)ethyl]pyridine (PubChem CID 6539814) has the molecular formula C16H14FN and a molecular weight of 239.29 g/mol. Its IUPAC name is 3-[(1E)-1-(5-fluoro-2,3-dihydroinden-1-ylidene)ethyl]pyridine.

Molecular Properties

Compound Name3-[(1E)-1-(5-fluoro-2,3-dihydroinden-1-ylidene)ethyl]pyridine
PubChem CID6539814
Molecular FormulaC16H14FN
Molecular Weight239.29 g/mol
Exact Mass239.11
IUPAC Name3-[(1E)-1-(5-fluoro-2,3-dihydroinden-1-ylidene)ethyl]pyridine
SMILESC/C(=C1/CCc2cc(F)ccc21)c1cccnc1
InChIInChI=1S/C16H14FN/c1-11(13-3-2-8-18-10-13)15-6-4-12-9-14(17)5-7-16(12)15/h2-3,5,7-10H,4,6H2,1H3/b15-11+
InChIKeyODPLNTNLMCPYEL-RVDMUPIBSA-N
XLogP4.10
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[(1E)-1-(5-fluoro-2,3-dihydroinden-1-ylidene)ethyl]pyridine?
The IUPAC name of 3-[(1E)-1-(5-fluoro-2,3-dihydroinden-1-ylidene)ethyl]pyridine (CID 6539814) is 3-[(1E)-1-(5-fluoro-2,3-dihydroinden-1-ylidene)ethyl]pyridine.
What is the SMILES notation for 3-[(1E)-1-(5-fluoro-2,3-dihydroinden-1-ylidene)ethyl]pyridine?
The canonical SMILES for 3-[(1E)-1-(5-fluoro-2,3-dihydroinden-1-ylidene)ethyl]pyridine is C/C(=C1/CCc2cc(F)ccc21)c1cccnc1.
What is the InChIKey of 3-[(1E)-1-(5-fluoro-2,3-dihydroinden-1-ylidene)ethyl]pyridine?
The InChIKey is ODPLNTNLMCPYEL-RVDMUPIBSA-N. The full InChI is InChI=1S/C16H14FN/c1-11(13-3-2-8-18-10-13)15-6-4-12-9-14(17)5-7-16(12)15/h2-3,5,7-10H,4,6H2,1H3/b15-11+.
What are the key properties of 3-[(1E)-1-(5-fluoro-2,3-dihydroinden-1-ylidene)ethyl]pyridine?
3-[(1E)-1-(5-fluoro-2,3-dihydroinden-1-ylidene)ethyl]pyridine has a molecular weight of 239.29 g/mol, XLogP of 4.10, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1E)-1-(5-fluoro-2,3-dihydroinden-1-ylidene)ethyl]pyridine is sourced from PubChem (CID 6539814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).