(2E,3Z)-2-(2-chloroprop-2-enylidene)-6-ethenyl-3-(iodomethylidene)pyridine

C11H9ClIN — CID 89276504

IUPAC(2E,3Z)-2-(2-chloroprop-2-enylidene)-6-ethenyl-3-(iodomethylidene)pyridine
SMILESC=Cc1ccc(=C/I)/c(=C\C(=C)Cl)n1
InChIInChI=1S/C11H9ClIN/c1-3-10-5-4-9(7-13)11(14-10)6-8(2)12/h3-7H,1-2H2/b9-7-,11-6+
InChIKeyHJBZRKCCHXROLV-IBDCXDMFSA-N
MW317.56 g/mol
LogP2.43
Rot. Bonds2

About (2E,3Z)-2-(2-chloroprop-2-enylidene)-6-ethenyl-3-(iodomethylidene)pyridine

(2E,3Z)-2-(2-chloroprop-2-enylidene)-6-ethenyl-3-(iodomethylidene)pyridine (PubChem CID 89276504) has the molecular formula C11H9ClIN and a molecular weight of 317.56 g/mol. Its IUPAC name is (2E,3Z)-2-(2-chloroprop-2-enylidene)-6-ethenyl-3-(iodomethylidene)pyridine.

Molecular Properties

Compound Name(2E,3Z)-2-(2-chloroprop-2-enylidene)-6-ethenyl-3-(iodomethylidene)pyridine
PubChem CID89276504
Molecular FormulaC11H9ClIN
Molecular Weight317.56 g/mol
Exact Mass316.95
IUPAC Name(2E,3Z)-2-(2-chloroprop-2-enylidene)-6-ethenyl-3-(iodomethylidene)pyridine
SMILESC=Cc1ccc(=C/I)/c(=C\C(=C)Cl)n1
InChIInChI=1S/C11H9ClIN/c1-3-10-5-4-9(7-13)11(14-10)6-8(2)12/h3-7H,1-2H2/b9-7-,11-6+
InChIKeyHJBZRKCCHXROLV-IBDCXDMFSA-N
XLogP2.43
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.56
LogP ≤ 52.43
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 (2E,3Z)-2-(2-chloroprop-2-enylidene)-6-ethenyl-3-(iodomethylidene)pyridine?
The IUPAC name of (2E,3Z)-2-(2-chloroprop-2-enylidene)-6-ethenyl-3-(iodomethylidene)pyridine (CID 89276504) is (2E,3Z)-2-(2-chloroprop-2-enylidene)-6-ethenyl-3-(iodomethylidene)pyridine.
What is the SMILES notation for (2E,3Z)-2-(2-chloroprop-2-enylidene)-6-ethenyl-3-(iodomethylidene)pyridine?
The canonical SMILES for (2E,3Z)-2-(2-chloroprop-2-enylidene)-6-ethenyl-3-(iodomethylidene)pyridine is C=Cc1ccc(=C/I)/c(=C\C(=C)Cl)n1.
What is the InChIKey of (2E,3Z)-2-(2-chloroprop-2-enylidene)-6-ethenyl-3-(iodomethylidene)pyridine?
The InChIKey is HJBZRKCCHXROLV-IBDCXDMFSA-N. The full InChI is InChI=1S/C11H9ClIN/c1-3-10-5-4-9(7-13)11(14-10)6-8(2)12/h3-7H,1-2H2/b9-7-,11-6+.
What are the key properties of (2E,3Z)-2-(2-chloroprop-2-enylidene)-6-ethenyl-3-(iodomethylidene)pyridine?
(2E,3Z)-2-(2-chloroprop-2-enylidene)-6-ethenyl-3-(iodomethylidene)pyridine has a molecular weight of 317.56 g/mol, XLogP of 2.43, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,3Z)-2-(2-chloroprop-2-enylidene)-6-ethenyl-3-(iodomethylidene)pyridine is sourced from PubChem (CID 89276504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).