[2-(chloromethyl)-2,3-dihydropyridin-6-yl]methanimine

C7H9ClN2 — CID 176930576

IUPAC[2-(chloromethyl)-2,3-dihydropyridin-6-yl]methanimine
SMILES[H]/N=C/C1=NC(CCl)CC=C1
InChIInChI=1S/C7H9ClN2/c8-4-6-2-1-3-7(5-9)10-6/h1,3,5-6,9H,2,4H2/b9-5+
InChIKeyGERMPFYVHNKAFD-WEVVVXLNSA-N
MW156.62 g/mol
LogP1.64
Rot. Bonds2

About [2-(chloromethyl)-2,3-dihydropyridin-6-yl]methanimine

[2-(chloromethyl)-2,3-dihydropyridin-6-yl]methanimine (PubChem CID 176930576) has the molecular formula C7H9ClN2 and a molecular weight of 156.62 g/mol. Its IUPAC name is [2-(chloromethyl)-2,3-dihydropyridin-6-yl]methanimine.

Molecular Properties

Compound Name[2-(chloromethyl)-2,3-dihydropyridin-6-yl]methanimine
PubChem CID176930576
Molecular FormulaC7H9ClN2
Molecular Weight156.62 g/mol
Exact Mass156.05
IUPAC Name[2-(chloromethyl)-2,3-dihydropyridin-6-yl]methanimine
SMILES[H]/N=C/C1=NC(CCl)CC=C1
InChIInChI=1S/C7H9ClN2/c8-4-6-2-1-3-7(5-9)10-6/h1,3,5-6,9H,2,4H2/b9-5+
InChIKeyGERMPFYVHNKAFD-WEVVVXLNSA-N
XLogP1.64
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.62
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(Chloromethyl)-2,3-dihydropyridine
CID 19374825
(2S)-3-chloro-2-methyl-2,3-dihydropyridine
CID 67991645
2-chloro-2H-pyridin-3-imine
CID 151984648
2,6-Bis(chloromethyl)-2,3-dihydropyridine
CID 164992682

Frequently Asked Questions

What is the IUPAC name of [2-(chloromethyl)-2,3-dihydropyridin-6-yl]methanimine?
The IUPAC name of [2-(chloromethyl)-2,3-dihydropyridin-6-yl]methanimine (CID 176930576) is [2-(chloromethyl)-2,3-dihydropyridin-6-yl]methanimine.
What is the SMILES notation for [2-(chloromethyl)-2,3-dihydropyridin-6-yl]methanimine?
The canonical SMILES for [2-(chloromethyl)-2,3-dihydropyridin-6-yl]methanimine is [H]/N=C/C1=NC(CCl)CC=C1.
What is the InChIKey of [2-(chloromethyl)-2,3-dihydropyridin-6-yl]methanimine?
The InChIKey is GERMPFYVHNKAFD-WEVVVXLNSA-N. The full InChI is InChI=1S/C7H9ClN2/c8-4-6-2-1-3-7(5-9)10-6/h1,3,5-6,9H,2,4H2/b9-5+.
What are the key properties of [2-(chloromethyl)-2,3-dihydropyridin-6-yl]methanimine?
[2-(chloromethyl)-2,3-dihydropyridin-6-yl]methanimine has a molecular weight of 156.62 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(chloromethyl)-2,3-dihydropyridin-6-yl]methanimine is sourced from PubChem (CID 176930576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).