(2Z)-2-(1-chloroethylidene)-N-ethenylpyridin-3-imine

C9H9ClN2 — CID 122535426

IUPAC(2Z)-2-(1-chloroethylidene)-N-ethenylpyridin-3-imine
SMILESC=C/N=C1\C=CC=N\C1=C(\C)Cl
InChIInChI=1S/C9H9ClN2/c1-3-11-8-5-4-6-12-9(8)7(2)10/h3-6H,1H2,2H3/b9-7-,11-8+
InChIKeyFYDNTFLMXGDERM-BYSFRFKNSA-N
MW180.64 g/mol
LogP2.68
Rot. Bonds1

About (2Z)-2-(1-chloroethylidene)-N-ethenylpyridin-3-imine

(2Z)-2-(1-chloroethylidene)-N-ethenylpyridin-3-imine (PubChem CID 122535426) has the molecular formula C9H9ClN2 and a molecular weight of 180.64 g/mol. Its IUPAC name is (2Z)-2-(1-chloroethylidene)-N-ethenylpyridin-3-imine.

Molecular Properties

Compound Name(2Z)-2-(1-chloroethylidene)-N-ethenylpyridin-3-imine
PubChem CID122535426
Molecular FormulaC9H9ClN2
Molecular Weight180.64 g/mol
Exact Mass180.05
IUPAC Name(2Z)-2-(1-chloroethylidene)-N-ethenylpyridin-3-imine
SMILESC=C/N=C1\C=CC=N\C1=C(\C)Cl
InChIInChI=1S/C9H9ClN2/c1-3-11-8-5-4-6-12-9(8)7(2)10/h3-6H,1H2,2H3/b9-7-,11-8+
InChIKeyFYDNTFLMXGDERM-BYSFRFKNSA-N
XLogP2.68
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.64
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-(1-chloroethylidene)-N-ethenylpyridin-3-imine?
The IUPAC name of (2Z)-2-(1-chloroethylidene)-N-ethenylpyridin-3-imine (CID 122535426) is (2Z)-2-(1-chloroethylidene)-N-ethenylpyridin-3-imine.
What is the SMILES notation for (2Z)-2-(1-chloroethylidene)-N-ethenylpyridin-3-imine?
The canonical SMILES for (2Z)-2-(1-chloroethylidene)-N-ethenylpyridin-3-imine is C=C/N=C1\C=CC=N\C1=C(\C)Cl.
What is the InChIKey of (2Z)-2-(1-chloroethylidene)-N-ethenylpyridin-3-imine?
The InChIKey is FYDNTFLMXGDERM-BYSFRFKNSA-N. The full InChI is InChI=1S/C9H9ClN2/c1-3-11-8-5-4-6-12-9(8)7(2)10/h3-6H,1H2,2H3/b9-7-,11-8+.
What are the key properties of (2Z)-2-(1-chloroethylidene)-N-ethenylpyridin-3-imine?
(2Z)-2-(1-chloroethylidene)-N-ethenylpyridin-3-imine has a molecular weight of 180.64 g/mol, XLogP of 2.68, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(1-chloroethylidene)-N-ethenylpyridin-3-imine is sourced from PubChem (CID 122535426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).