(2E,3Z)-3-(2-chloroethylidene)-2-ethylidene-6-methylpyridine

C10H12ClN — CID 89003578

IUPAC(2E,3Z)-3-(2-chloroethylidene)-2-ethylidene-6-methylpyridine
SMILESC/C=c1/nc(C)cc/c1=C/CCl
InChIInChI=1S/C10H12ClN/c1-3-10-9(6-7-11)5-4-8(2)12-10/h3-6H,7H2,1-2H3/b9-6-,10-3+
InChIKeyAUNWVSNBKUPPAL-KABABDOMSA-N
MW181.67 g/mol
LogP1.21
Rot. Bonds1

About (2E,3Z)-3-(2-chloroethylidene)-2-ethylidene-6-methylpyridine

(2E,3Z)-3-(2-chloroethylidene)-2-ethylidene-6-methylpyridine (PubChem CID 89003578) has the molecular formula C10H12ClN and a molecular weight of 181.67 g/mol. Its IUPAC name is (2E,3Z)-3-(2-chloroethylidene)-2-ethylidene-6-methylpyridine.

Molecular Properties

Compound Name(2E,3Z)-3-(2-chloroethylidene)-2-ethylidene-6-methylpyridine
PubChem CID89003578
Molecular FormulaC10H12ClN
Molecular Weight181.67 g/mol
Exact Mass181.07
IUPAC Name(2E,3Z)-3-(2-chloroethylidene)-2-ethylidene-6-methylpyridine
SMILESC/C=c1/nc(C)cc/c1=C/CCl
InChIInChI=1S/C10H12ClN/c1-3-10-9(6-7-11)5-4-8(2)12-10/h3-6H,7H2,1-2H3/b9-6-,10-3+
InChIKeyAUNWVSNBKUPPAL-KABABDOMSA-N
XLogP1.21
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.67
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E,3Z)-3-(2-chloroethylidene)-2-ethylidene-6-methylpyridine?
The IUPAC name of (2E,3Z)-3-(2-chloroethylidene)-2-ethylidene-6-methylpyridine (CID 89003578) is (2E,3Z)-3-(2-chloroethylidene)-2-ethylidene-6-methylpyridine.
What is the SMILES notation for (2E,3Z)-3-(2-chloroethylidene)-2-ethylidene-6-methylpyridine?
The canonical SMILES for (2E,3Z)-3-(2-chloroethylidene)-2-ethylidene-6-methylpyridine is C/C=c1/nc(C)cc/c1=C/CCl.
What is the InChIKey of (2E,3Z)-3-(2-chloroethylidene)-2-ethylidene-6-methylpyridine?
The InChIKey is AUNWVSNBKUPPAL-KABABDOMSA-N. The full InChI is InChI=1S/C10H12ClN/c1-3-10-9(6-7-11)5-4-8(2)12-10/h3-6H,7H2,1-2H3/b9-6-,10-3+.
What are the key properties of (2E,3Z)-3-(2-chloroethylidene)-2-ethylidene-6-methylpyridine?
(2E,3Z)-3-(2-chloroethylidene)-2-ethylidene-6-methylpyridine has a molecular weight of 181.67 g/mol, XLogP of 1.21, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,3Z)-3-(2-chloroethylidene)-2-ethylidene-6-methylpyridine is sourced from PubChem (CID 89003578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).