N-(5-fluoro-6-methoxy-2-methyl-3-pyridinyl)-1,1-diphenylmethanimine

C20H17FN2O — CID 155435961

IUPACN-(5-fluoro-6-methoxy-2-methyl-3-pyridinyl)-1,1-diphenylmethanimine
SMILESCOc1nc(C)c(N=C(c2ccccc2)c2ccccc2)cc1F
InChIInChI=1S/C20H17FN2O/c1-14-18(13-17(21)20(22-14)24-2)23-19(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-13H,1-2H3
InChIKeyAYQMLZMDWWRDOY-UHFFFAOYSA-N
MW320.37 g/mol
LogP4.71
Rot. Bonds4

About N-(5-fluoro-6-methoxy-2-methyl-3-pyridinyl)-1,1-diphenylmethanimine

N-(5-fluoro-6-methoxy-2-methyl-3-pyridinyl)-1,1-diphenylmethanimine (PubChem CID 155435961) has the molecular formula C20H17FN2O and a molecular weight of 320.37 g/mol. Its IUPAC name is N-(5-fluoro-6-methoxy-2-methyl-3-pyridinyl)-1,1-diphenylmethanimine.

Molecular Properties

Compound NameN-(5-fluoro-6-methoxy-2-methyl-3-pyridinyl)-1,1-diphenylmethanimine
PubChem CID155435961
Molecular FormulaC20H17FN2O
Molecular Weight320.37 g/mol
Exact Mass320.13
IUPAC NameN-(5-fluoro-6-methoxy-2-methyl-3-pyridinyl)-1,1-diphenylmethanimine
SMILESCOc1nc(C)c(N=C(c2ccccc2)c2ccccc2)cc1F
InChIInChI=1S/C20H17FN2O/c1-14-18(13-17(21)20(22-14)24-2)23-19(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-13H,1-2H3
InChIKeyAYQMLZMDWWRDOY-UHFFFAOYSA-N
XLogP4.71
TPSA34.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(5-fluoro-6-methoxy-2-methyl-3-pyridinyl)-1,1-diphenylmethanimine?
The IUPAC name of N-(5-fluoro-6-methoxy-2-methyl-3-pyridinyl)-1,1-diphenylmethanimine (CID 155435961) is N-(5-fluoro-6-methoxy-2-methyl-3-pyridinyl)-1,1-diphenylmethanimine.
What is the SMILES notation for N-(5-fluoro-6-methoxy-2-methyl-3-pyridinyl)-1,1-diphenylmethanimine?
The canonical SMILES for N-(5-fluoro-6-methoxy-2-methyl-3-pyridinyl)-1,1-diphenylmethanimine is COc1nc(C)c(N=C(c2ccccc2)c2ccccc2)cc1F.
What is the InChIKey of N-(5-fluoro-6-methoxy-2-methyl-3-pyridinyl)-1,1-diphenylmethanimine?
The InChIKey is AYQMLZMDWWRDOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2O/c1-14-18(13-17(21)20(22-14)24-2)23-19(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-13H,1-2H3.
What are the key properties of N-(5-fluoro-6-methoxy-2-methyl-3-pyridinyl)-1,1-diphenylmethanimine?
N-(5-fluoro-6-methoxy-2-methyl-3-pyridinyl)-1,1-diphenylmethanimine has a molecular weight of 320.37 g/mol, XLogP of 4.71, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-6-methoxy-2-methyl-3-pyridinyl)-1,1-diphenylmethanimine is sourced from PubChem (CID 155435961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).