3-[(E)-(4-fluoro-2,3-dihydroinden-1-ylidene)methyl]pyridine

C15H12FN — CID 6539783

IUPAC3-[(E)-(4-fluoro-2,3-dihydroinden-1-ylidene)methyl]pyridine
SMILESFc1cccc2c1CC/C2=C\c1cccnc1
InChIInChI=1S/C15H12FN/c16-15-5-1-4-13-12(6-7-14(13)15)9-11-3-2-8-17-10-11/h1-5,8-10H,6-7H2/b12-9+
InChIKeyJKDSUQNXZNYUED-FMIVXFBMSA-N
MW225.27 g/mol
LogP3.71
Rot. Bonds1

About 3-[(E)-(4-fluoro-2,3-dihydroinden-1-ylidene)methyl]pyridine

3-[(E)-(4-fluoro-2,3-dihydroinden-1-ylidene)methyl]pyridine (PubChem CID 6539783) has the molecular formula C15H12FN and a molecular weight of 225.27 g/mol. Its IUPAC name is 3-[(E)-(4-fluoro-2,3-dihydroinden-1-ylidene)methyl]pyridine.

Molecular Properties

Compound Name3-[(E)-(4-fluoro-2,3-dihydroinden-1-ylidene)methyl]pyridine
PubChem CID6539783
Molecular FormulaC15H12FN
Molecular Weight225.27 g/mol
Exact Mass225.10
IUPAC Name3-[(E)-(4-fluoro-2,3-dihydroinden-1-ylidene)methyl]pyridine
SMILESFc1cccc2c1CC/C2=C\c1cccnc1
InChIInChI=1S/C15H12FN/c16-15-5-1-4-13-12(6-7-14(13)15)9-11-3-2-8-17-10-11/h1-5,8-10H,6-7H2/b12-9+
InChIKeyJKDSUQNXZNYUED-FMIVXFBMSA-N
XLogP3.71
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-(4-fluoro-2,3-dihydroinden-1-ylidene)methyl]pyridine?
The IUPAC name of 3-[(E)-(4-fluoro-2,3-dihydroinden-1-ylidene)methyl]pyridine (CID 6539783) is 3-[(E)-(4-fluoro-2,3-dihydroinden-1-ylidene)methyl]pyridine.
What is the SMILES notation for 3-[(E)-(4-fluoro-2,3-dihydroinden-1-ylidene)methyl]pyridine?
The canonical SMILES for 3-[(E)-(4-fluoro-2,3-dihydroinden-1-ylidene)methyl]pyridine is Fc1cccc2c1CC/C2=C\c1cccnc1.
What is the InChIKey of 3-[(E)-(4-fluoro-2,3-dihydroinden-1-ylidene)methyl]pyridine?
The InChIKey is JKDSUQNXZNYUED-FMIVXFBMSA-N. The full InChI is InChI=1S/C15H12FN/c16-15-5-1-4-13-12(6-7-14(13)15)9-11-3-2-8-17-10-11/h1-5,8-10H,6-7H2/b12-9+.
What are the key properties of 3-[(E)-(4-fluoro-2,3-dihydroinden-1-ylidene)methyl]pyridine?
3-[(E)-(4-fluoro-2,3-dihydroinden-1-ylidene)methyl]pyridine has a molecular weight of 225.27 g/mol, XLogP of 3.71, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-(4-fluoro-2,3-dihydroinden-1-ylidene)methyl]pyridine is sourced from PubChem (CID 6539783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).