N-[2-(6-chloro-3-pyridinyl)ethyl]methanimine

C8H9ClN2 — CID 174856030

IUPACN-[2-(6-chloro-3-pyridinyl)ethyl]methanimine
SMILESC=NCCc1ccc(Cl)nc1
InChIInChI=1S/C8H9ClN2/c1-10-5-4-7-2-3-8(9)11-6-7/h2-3,6H,1,4-5H2
InChIKeyCVYAJVMOOAXAKZ-UHFFFAOYSA-N
MW168.63 g/mol
LogP1.98
Rot. Bonds3

About N-[2-(6-chloro-3-pyridinyl)ethyl]methanimine

N-[2-(6-chloro-3-pyridinyl)ethyl]methanimine (PubChem CID 174856030) has the molecular formula C8H9ClN2 and a molecular weight of 168.63 g/mol. Its IUPAC name is N-[2-(6-chloro-3-pyridinyl)ethyl]methanimine.

Molecular Properties

Compound NameN-[2-(6-chloro-3-pyridinyl)ethyl]methanimine
PubChem CID174856030
Molecular FormulaC8H9ClN2
Molecular Weight168.63 g/mol
Exact Mass168.05
IUPAC NameN-[2-(6-chloro-3-pyridinyl)ethyl]methanimine
SMILESC=NCCc1ccc(Cl)nc1
InChIInChI=1S/C8H9ClN2/c1-10-5-4-7-2-3-8(9)11-6-7/h2-3,6H,1,4-5H2
InChIKeyCVYAJVMOOAXAKZ-UHFFFAOYSA-N
XLogP1.98
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.63
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

3-(6-chloro-3-pyridinyl)propan-1-amine
CID 55266359
2-chloro-5-(iodomethyl)pyridine
CID 11149463
4-(6-chloro-3-pyridinyl)butane-1,3-diamine
CID 18365460
1,6-bis(6-chloro-3-pyridinyl)hexane-2,5-diamine
CID 18365459
2-chloro-5-(10,10,10-trifluorodecyl)pyridine
CID 152535807
2-chloro-5-[(2S)-2-methylbutyl]pyridine
CID 56840075
2-chloro-5-(methoxymethyl)pyridine
CID 19010921
1-(6-chloro-3-pyridinyl)-N,N-dimethylmethanamine
CID 12056677
2-(6-chloro-3-pyridinyl)-N-cyanoethanesulfinimidic acid
CID 131730853
N-[2-(6-chloro-3-pyridinyl)ethyl]-2-methylpentan-3-amine
CID 115728798
[4-(6-chloro-3-pyridinyl)-2-methylbutan-2-yl]-hydroxy-dimethylsilane
CID 89348103
N-[2-(6-chloro-3-pyridinyl)ethyl]-1-cyclopropylethanamine
CID 115728805

Frequently Asked Questions

What is the IUPAC name of N-[2-(6-chloro-3-pyridinyl)ethyl]methanimine?
The IUPAC name of N-[2-(6-chloro-3-pyridinyl)ethyl]methanimine (CID 174856030) is N-[2-(6-chloro-3-pyridinyl)ethyl]methanimine.
What is the SMILES notation for N-[2-(6-chloro-3-pyridinyl)ethyl]methanimine?
The canonical SMILES for N-[2-(6-chloro-3-pyridinyl)ethyl]methanimine is C=NCCc1ccc(Cl)nc1.
What is the InChIKey of N-[2-(6-chloro-3-pyridinyl)ethyl]methanimine?
The InChIKey is CVYAJVMOOAXAKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2/c1-10-5-4-7-2-3-8(9)11-6-7/h2-3,6H,1,4-5H2.
What are the key properties of N-[2-(6-chloro-3-pyridinyl)ethyl]methanimine?
N-[2-(6-chloro-3-pyridinyl)ethyl]methanimine has a molecular weight of 168.63 g/mol, XLogP of 1.98, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-chloro-3-pyridinyl)ethyl]methanimine is sourced from PubChem (CID 174856030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).