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

C15H12ClN — CID 6539784

IUPAC3-[(E)-(4-chloro-2,3-dihydroinden-1-ylidene)methyl]pyridine
SMILESClc1cccc2c1CC/C2=C\c1cccnc1
InChIInChI=1S/C15H12ClN/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+
InChIKeyOAISOHCDZRMGCP-FMIVXFBMSA-N
MW241.72 g/mol
LogP4.22
Rot. Bonds1

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

3-[(E)-(4-chloro-2,3-dihydroinden-1-ylidene)methyl]pyridine (PubChem CID 6539784) has the molecular formula C15H12ClN and a molecular weight of 241.72 g/mol. Its IUPAC name is 3-[(E)-(4-chloro-2,3-dihydroinden-1-ylidene)methyl]pyridine.

Molecular Properties

Compound Name3-[(E)-(4-chloro-2,3-dihydroinden-1-ylidene)methyl]pyridine
PubChem CID6539784
Molecular FormulaC15H12ClN
Molecular Weight241.72 g/mol
Exact Mass241.07
IUPAC Name3-[(E)-(4-chloro-2,3-dihydroinden-1-ylidene)methyl]pyridine
SMILESClc1cccc2c1CC/C2=C\c1cccnc1
InChIInChI=1S/C15H12ClN/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+
InChIKeyOAISOHCDZRMGCP-FMIVXFBMSA-N
XLogP4.22
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4'-Chlorobenzyl)pyridine
CID 78054
Isoquinoline, 1-chloro-
CID 140539
4-Fluoren-9-ylidenemethyl-pyridine
CID 256445
3-(9h-Fluoren-9-ylidenemethyl)pyridine
CID 256446
(3-Pyridylmethylene)indane 1a
CID 6539759
3-[(1Z)-2,3-dihydro-1H-inden-1-ylidenemethyl]pyridine
CID 6539760
(3-Pyridylmethylene)indane 5a
CID 6539763
3-{[(1Z)-5-fluoro-2,3-dihydro-1H-inden-1-ylidene]methyl}pyridine
CID 6539764
3-{[(1E)-5-chloro-2,3-dihydro-1H-inden-1-ylidene]methyl}pyridine
CID 6539765
(3-Pyridylmethylene)indane 7b
CID 6539766
3-{[(1E)-4-methyl-2,3-dihydro-1H-inden-1-ylidene]methyl}pyridine
CID 6539775
(3-Pyridylmethylene)indane 24a
CID 6539783

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-(4-chloro-2,3-dihydroinden-1-ylidene)methyl]pyridine?
The IUPAC name of 3-[(E)-(4-chloro-2,3-dihydroinden-1-ylidene)methyl]pyridine (CID 6539784) is 3-[(E)-(4-chloro-2,3-dihydroinden-1-ylidene)methyl]pyridine.
What is the SMILES notation for 3-[(E)-(4-chloro-2,3-dihydroinden-1-ylidene)methyl]pyridine?
The canonical SMILES for 3-[(E)-(4-chloro-2,3-dihydroinden-1-ylidene)methyl]pyridine is Clc1cccc2c1CC/C2=C\c1cccnc1.
What is the InChIKey of 3-[(E)-(4-chloro-2,3-dihydroinden-1-ylidene)methyl]pyridine?
The InChIKey is OAISOHCDZRMGCP-FMIVXFBMSA-N. The full InChI is InChI=1S/C15H12ClN/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-chloro-2,3-dihydroinden-1-ylidene)methyl]pyridine?
3-[(E)-(4-chloro-2,3-dihydroinden-1-ylidene)methyl]pyridine has a molecular weight of 241.72 g/mol, XLogP of 4.22, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-(4-chloro-2,3-dihydroinden-1-ylidene)methyl]pyridine is sourced from PubChem (CID 6539784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).