N-(4-chloro-2-ethenyl-3-pyridinyl)methanimine

C8H7ClN2 — CID 144514793

IUPACN-(4-chloro-2-ethenyl-3-pyridinyl)methanimine
SMILESC=Cc1nccc(Cl)c1N=C
InChIInChI=1S/C8H7ClN2/c1-3-7-8(10-2)6(9)4-5-11-7/h3-5H,1-2H2
InChIKeyHPOWEYNDQPRHEZ-UHFFFAOYSA-N
MW166.61 g/mol
LogP2.71
Rot. Bonds2

About N-(4-chloro-2-ethenyl-3-pyridinyl)methanimine

N-(4-chloro-2-ethenyl-3-pyridinyl)methanimine (PubChem CID 144514793) has the molecular formula C8H7ClN2 and a molecular weight of 166.61 g/mol. Its IUPAC name is N-(4-chloro-2-ethenyl-3-pyridinyl)methanimine.

Molecular Properties

Compound NameN-(4-chloro-2-ethenyl-3-pyridinyl)methanimine
PubChem CID144514793
Molecular FormulaC8H7ClN2
Molecular Weight166.61 g/mol
Exact Mass166.03
IUPAC NameN-(4-chloro-2-ethenyl-3-pyridinyl)methanimine
SMILESC=Cc1nccc(Cl)c1N=C
InChIInChI=1S/C8H7ClN2/c1-3-7-8(10-2)6(9)4-5-11-7/h3-5H,1-2H2
InChIKeyHPOWEYNDQPRHEZ-UHFFFAOYSA-N
XLogP2.71
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 ≤ 52.71
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-(4-chloro-2-ethenyl-3-pyridinyl)methanimine?
The IUPAC name of N-(4-chloro-2-ethenyl-3-pyridinyl)methanimine (CID 144514793) is N-(4-chloro-2-ethenyl-3-pyridinyl)methanimine.
What is the SMILES notation for N-(4-chloro-2-ethenyl-3-pyridinyl)methanimine?
The canonical SMILES for N-(4-chloro-2-ethenyl-3-pyridinyl)methanimine is C=Cc1nccc(Cl)c1N=C.
What is the InChIKey of N-(4-chloro-2-ethenyl-3-pyridinyl)methanimine?
The InChIKey is HPOWEYNDQPRHEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN2/c1-3-7-8(10-2)6(9)4-5-11-7/h3-5H,1-2H2.
What are the key properties of N-(4-chloro-2-ethenyl-3-pyridinyl)methanimine?
N-(4-chloro-2-ethenyl-3-pyridinyl)methanimine has a molecular weight of 166.61 g/mol, XLogP of 2.71, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-ethenyl-3-pyridinyl)methanimine is sourced from PubChem (CID 144514793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).