[4-(5-chloro-2-methoxy-3-pyridinyl)phenyl]methanimine

C13H11ClN2O — CID 91263358

IUPAC[4-(5-chloro-2-methoxy-3-pyridinyl)phenyl]methanimine
SMILES[H]/N=C/c1ccc(-c2cc(Cl)cnc2OC)cc1
InChIInChI=1S/C13H11ClN2O/c1-17-13-12(6-11(14)8-16-13)10-4-2-9(7-15)3-5-10/h2-8,15H,1H3/b15-7+
InChIKeyGOSPPLCKHVHJAW-VIZOYTHASA-N
MW246.70 g/mol
LogP3.41
Rot. Bonds3

About [4-(5-chloro-2-methoxy-3-pyridinyl)phenyl]methanimine

[4-(5-chloro-2-methoxy-3-pyridinyl)phenyl]methanimine (PubChem CID 91263358) has the molecular formula C13H11ClN2O and a molecular weight of 246.70 g/mol. Its IUPAC name is [4-(5-chloro-2-methoxy-3-pyridinyl)phenyl]methanimine.

Molecular Properties

Compound Name[4-(5-chloro-2-methoxy-3-pyridinyl)phenyl]methanimine
PubChem CID91263358
Molecular FormulaC13H11ClN2O
Molecular Weight246.70 g/mol
Exact Mass246.06
IUPAC Name[4-(5-chloro-2-methoxy-3-pyridinyl)phenyl]methanimine
SMILES[H]/N=C/c1ccc(-c2cc(Cl)cnc2OC)cc1
InChIInChI=1S/C13H11ClN2O/c1-17-13-12(6-11(14)8-16-13)10-4-2-9(7-15)3-5-10/h2-8,15H,1H3/b15-7+
InChIKeyGOSPPLCKHVHJAW-VIZOYTHASA-N
XLogP3.41
TPSA45.97 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.70
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-2-methoxy-3-(3,4,5-trichlorophenyl)pyridine
CID 134637828
5-chloro-2-methoxy-3-(2,4,6-trichlorophenyl)pyridine
CID 134635816
5-chloro-3-(2,4-dichlorophenyl)-2-methoxypyridine
CID 133088213
1-[4-(5-chloro-2-methoxy-3-pyridinyl)-2-methoxyphenyl]ethanamine
CID 69363207
5-chloro-2-methoxy-3-(2,3,4-trichlorophenyl)pyridine
CID 134635987
5-chloro-2-methoxy-3-(2,3,5-trichlorophenyl)pyridine
CID 134637303
N-[4-(5-chloro-2-methoxy-3-pyridinyl)phenyl]-2,6-difluorobenzamide;hydrochloride
CID 73052207
methyl 5-(4-chlorophenyl)-6-methoxypyridine-3-carboxylate
CID 175171201
5-chloro-3-(4-chlorophenyl)-2-(1,1,1-trifluoropropan-2-yloxy)pyridine
CID 66692587
5-chloro-2-(difluoromethoxy)-3-pyridin-4-ylpyridine
CID 46317934
5-chloro-2,3-dimethoxypyridine;hydrochloride
CID 91759024
5-fluoro-2-methoxy-3-pyridin-4-ylpyridine
CID 46315714

Frequently Asked Questions

What is the IUPAC name of [4-(5-chloro-2-methoxy-3-pyridinyl)phenyl]methanimine?
The IUPAC name of [4-(5-chloro-2-methoxy-3-pyridinyl)phenyl]methanimine (CID 91263358) is [4-(5-chloro-2-methoxy-3-pyridinyl)phenyl]methanimine.
What is the SMILES notation for [4-(5-chloro-2-methoxy-3-pyridinyl)phenyl]methanimine?
The canonical SMILES for [4-(5-chloro-2-methoxy-3-pyridinyl)phenyl]methanimine is [H]/N=C/c1ccc(-c2cc(Cl)cnc2OC)cc1.
What is the InChIKey of [4-(5-chloro-2-methoxy-3-pyridinyl)phenyl]methanimine?
The InChIKey is GOSPPLCKHVHJAW-VIZOYTHASA-N. The full InChI is InChI=1S/C13H11ClN2O/c1-17-13-12(6-11(14)8-16-13)10-4-2-9(7-15)3-5-10/h2-8,15H,1H3/b15-7+.
What are the key properties of [4-(5-chloro-2-methoxy-3-pyridinyl)phenyl]methanimine?
[4-(5-chloro-2-methoxy-3-pyridinyl)phenyl]methanimine has a molecular weight of 246.70 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-chloro-2-methoxy-3-pyridinyl)phenyl]methanimine is sourced from PubChem (CID 91263358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).