(3Z)-3-[(E)-2-chlorohex-2-enylidene]-6-methyl-2H-pyridine

C12H16ClN — CID 137417289

IUPAC(3Z)-3-[(E)-2-chlorohex-2-enylidene]-6-methyl-2H-pyridine
SMILESCCC/C=C(Cl)\C=C1\C=CC(C)=NC1
InChIInChI=1S/C12H16ClN/c1-3-4-5-12(13)8-11-7-6-10(2)14-9-11/h5-8H,3-4,9H2,1-2H3/b11-8-,12-5+
InChIKeyLCTHAOVAJFYQSS-GPQSSBJBSA-N
MW209.72 g/mol
LogP3.87
Rot. Bonds3

About (3Z)-3-[(E)-2-chlorohex-2-enylidene]-6-methyl-2H-pyridine

(3Z)-3-[(E)-2-chlorohex-2-enylidene]-6-methyl-2H-pyridine (PubChem CID 137417289) has the molecular formula C12H16ClN and a molecular weight of 209.72 g/mol. Its IUPAC name is (3Z)-3-[(E)-2-chlorohex-2-enylidene]-6-methyl-2H-pyridine.

Molecular Properties

Compound Name(3Z)-3-[(E)-2-chlorohex-2-enylidene]-6-methyl-2H-pyridine
PubChem CID137417289
Molecular FormulaC12H16ClN
Molecular Weight209.72 g/mol
Exact Mass209.10
IUPAC Name(3Z)-3-[(E)-2-chlorohex-2-enylidene]-6-methyl-2H-pyridine
SMILESCCC/C=C(Cl)\C=C1\C=CC(C)=NC1
InChIInChI=1S/C12H16ClN/c1-3-4-5-12(13)8-11-7-6-10(2)14-9-11/h5-8H,3-4,9H2,1-2H3/b11-8-,12-5+
InChIKeyLCTHAOVAJFYQSS-GPQSSBJBSA-N
XLogP3.87
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.72
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[(E)-2-chlorohex-2-enylidene]-6-methyl-2H-pyridine?
The IUPAC name of (3Z)-3-[(E)-2-chlorohex-2-enylidene]-6-methyl-2H-pyridine (CID 137417289) is (3Z)-3-[(E)-2-chlorohex-2-enylidene]-6-methyl-2H-pyridine.
What is the SMILES notation for (3Z)-3-[(E)-2-chlorohex-2-enylidene]-6-methyl-2H-pyridine?
The canonical SMILES for (3Z)-3-[(E)-2-chlorohex-2-enylidene]-6-methyl-2H-pyridine is CCC/C=C(Cl)\C=C1\C=CC(C)=NC1.
What is the InChIKey of (3Z)-3-[(E)-2-chlorohex-2-enylidene]-6-methyl-2H-pyridine?
The InChIKey is LCTHAOVAJFYQSS-GPQSSBJBSA-N. The full InChI is InChI=1S/C12H16ClN/c1-3-4-5-12(13)8-11-7-6-10(2)14-9-11/h5-8H,3-4,9H2,1-2H3/b11-8-,12-5+.
What are the key properties of (3Z)-3-[(E)-2-chlorohex-2-enylidene]-6-methyl-2H-pyridine?
(3Z)-3-[(E)-2-chlorohex-2-enylidene]-6-methyl-2H-pyridine has a molecular weight of 209.72 g/mol, XLogP of 3.87, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[(E)-2-chlorohex-2-enylidene]-6-methyl-2H-pyridine is sourced from PubChem (CID 137417289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).