N-[3-(1-chloroethenyl)-4-pyridinyl]methanimine

C8H7ClN2 — CID 143092899

IUPACN-[3-(1-chloroethenyl)-4-pyridinyl]methanimine
SMILESC=Nc1ccncc1C(=C)Cl
InChIInChI=1S/C8H7ClN2/c1-6(9)7-5-11-4-3-8(7)10-2/h3-5H,1-2H2
InChIKeyCGOXUCVRFIIWAW-UHFFFAOYSA-N
MW166.61 g/mol
LogP2.62
Rot. Bonds2

About N-[3-(1-chloroethenyl)-4-pyridinyl]methanimine

N-[3-(1-chloroethenyl)-4-pyridinyl]methanimine (PubChem CID 143092899) has the molecular formula C8H7ClN2 and a molecular weight of 166.61 g/mol. Its IUPAC name is N-[3-(1-chloroethenyl)-4-pyridinyl]methanimine.

Molecular Properties

Compound NameN-[3-(1-chloroethenyl)-4-pyridinyl]methanimine
PubChem CID143092899
Molecular FormulaC8H7ClN2
Molecular Weight166.61 g/mol
Exact Mass166.03
IUPAC NameN-[3-(1-chloroethenyl)-4-pyridinyl]methanimine
SMILESC=Nc1ccncc1C(=C)Cl
InChIInChI=1S/C8H7ClN2/c1-6(9)7-5-11-4-3-8(7)10-2/h3-5H,1-2H2
InChIKeyCGOXUCVRFIIWAW-UHFFFAOYSA-N
XLogP2.62
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.61
LogP ≤ 52.62
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 N-[3-(1-chloroethenyl)-4-pyridinyl]methanimine?
The IUPAC name of N-[3-(1-chloroethenyl)-4-pyridinyl]methanimine (CID 143092899) is N-[3-(1-chloroethenyl)-4-pyridinyl]methanimine.
What is the SMILES notation for N-[3-(1-chloroethenyl)-4-pyridinyl]methanimine?
The canonical SMILES for N-[3-(1-chloroethenyl)-4-pyridinyl]methanimine is C=Nc1ccncc1C(=C)Cl.
What is the InChIKey of N-[3-(1-chloroethenyl)-4-pyridinyl]methanimine?
The InChIKey is CGOXUCVRFIIWAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN2/c1-6(9)7-5-11-4-3-8(7)10-2/h3-5H,1-2H2.
What are the key properties of N-[3-(1-chloroethenyl)-4-pyridinyl]methanimine?
N-[3-(1-chloroethenyl)-4-pyridinyl]methanimine has a molecular weight of 166.61 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-chloroethenyl)-4-pyridinyl]methanimine is sourced from PubChem (CID 143092899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).