1-(2-chloro-4-fluorophenyl)-N-(methoxymethoxy)-2-pyridin-3-ylpropan-1-imine

C16H16ClFN2O2 — CID 54298188

IUPAC1-(2-chloro-4-fluorophenyl)-N-(methoxymethoxy)-2-pyridin-3-ylpropan-1-imine
SMILESCOCON=C(c1ccc(F)cc1Cl)C(C)c1cccnc1
InChIInChI=1S/C16H16ClFN2O2/c1-11(12-4-3-7-19-9-12)16(20-22-10-21-2)14-6-5-13(18)8-15(14)17/h3-9,11H,10H2,1-2H3
InChIKeySCGLHLCREHUAAX-UHFFFAOYSA-N
MW322.77 g/mol
LogP4.00
Rot. Bonds6

About 1-(2-chloro-4-fluorophenyl)-N-(methoxymethoxy)-2-pyridin-3-ylpropan-1-imine

1-(2-chloro-4-fluorophenyl)-N-(methoxymethoxy)-2-pyridin-3-ylpropan-1-imine (PubChem CID 54298188) has the molecular formula C16H16ClFN2O2 and a molecular weight of 322.77 g/mol. Its IUPAC name is 1-(2-chloro-4-fluorophenyl)-N-(methoxymethoxy)-2-pyridin-3-ylpropan-1-imine.

Molecular Properties

Compound Name1-(2-chloro-4-fluorophenyl)-N-(methoxymethoxy)-2-pyridin-3-ylpropan-1-imine
PubChem CID54298188
Molecular FormulaC16H16ClFN2O2
Molecular Weight322.77 g/mol
Exact Mass322.09
IUPAC Name1-(2-chloro-4-fluorophenyl)-N-(methoxymethoxy)-2-pyridin-3-ylpropan-1-imine
SMILESCOCON=C(c1ccc(F)cc1Cl)C(C)c1cccnc1
InChIInChI=1S/C16H16ClFN2O2/c1-11(12-4-3-7-19-9-12)16(20-22-10-21-2)14-6-5-13(18)8-15(14)17/h3-9,11H,10H2,1-2H3
InChIKeySCGLHLCREHUAAX-UHFFFAOYSA-N
XLogP4.00
TPSA43.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.77
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-fluorophenyl)-N-(methoxymethoxy)-2-pyridin-3-ylpropan-1-imine?
The IUPAC name of 1-(2-chloro-4-fluorophenyl)-N-(methoxymethoxy)-2-pyridin-3-ylpropan-1-imine (CID 54298188) is 1-(2-chloro-4-fluorophenyl)-N-(methoxymethoxy)-2-pyridin-3-ylpropan-1-imine.
What is the SMILES notation for 1-(2-chloro-4-fluorophenyl)-N-(methoxymethoxy)-2-pyridin-3-ylpropan-1-imine?
The canonical SMILES for 1-(2-chloro-4-fluorophenyl)-N-(methoxymethoxy)-2-pyridin-3-ylpropan-1-imine is COCON=C(c1ccc(F)cc1Cl)C(C)c1cccnc1.
What is the InChIKey of 1-(2-chloro-4-fluorophenyl)-N-(methoxymethoxy)-2-pyridin-3-ylpropan-1-imine?
The InChIKey is SCGLHLCREHUAAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFN2O2/c1-11(12-4-3-7-19-9-12)16(20-22-10-21-2)14-6-5-13(18)8-15(14)17/h3-9,11H,10H2,1-2H3.
What are the key properties of 1-(2-chloro-4-fluorophenyl)-N-(methoxymethoxy)-2-pyridin-3-ylpropan-1-imine?
1-(2-chloro-4-fluorophenyl)-N-(methoxymethoxy)-2-pyridin-3-ylpropan-1-imine has a molecular weight of 322.77 g/mol, XLogP of 4.00, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-fluorophenyl)-N-(methoxymethoxy)-2-pyridin-3-ylpropan-1-imine is sourced from PubChem (CID 54298188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).