1-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-pyridinyl]-N-methylmethanimine

C21H18ClFN2O — CID 91610814

IUPAC1-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-pyridinyl]-N-methylmethanimine
SMILESC/N=C/c1ccc(Cc2ccc(OC)c(-c3cccc(Cl)c3)c2F)cn1
InChIInChI=1S/C21H18ClFN2O/c1-24-13-18-8-6-14(12-25-18)10-16-7-9-19(26-2)20(21(16)23)15-4-3-5-17(22)11-15/h3-9,11-13H,10H2,1-2H3/b24-13+
InChIKeyWNPVAWSQUDMDRB-ZMOGYAJESA-N
MW368.84 g/mol
LogP5.19
Rot. Bonds5

About 1-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-pyridinyl]-N-methylmethanimine

1-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-pyridinyl]-N-methylmethanimine (PubChem CID 91610814) has the molecular formula C21H18ClFN2O and a molecular weight of 368.84 g/mol. Its IUPAC name is 1-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-pyridinyl]-N-methylmethanimine.

Molecular Properties

Compound Name1-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-pyridinyl]-N-methylmethanimine
PubChem CID91610814
Molecular FormulaC21H18ClFN2O
Molecular Weight368.84 g/mol
Exact Mass368.11
IUPAC Name1-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-pyridinyl]-N-methylmethanimine
SMILESC/N=C/c1ccc(Cc2ccc(OC)c(-c3cccc(Cl)c3)c2F)cn1
InChIInChI=1S/C21H18ClFN2O/c1-24-13-18-8-6-14(12-25-18)10-16-7-9-19(26-2)20(21(16)23)15-4-3-5-17(22)11-15/h3-9,11-13H,10H2,1-2H3/b24-13+
InChIKeyWNPVAWSQUDMDRB-ZMOGYAJESA-N
XLogP5.19
TPSA34.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.84
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-pyridinyl]-N-methylmethanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(1-Chloro-7-methoxynaphthalen-2-yl)pyridine
CID 11680597
3-(3-(3-Chlorobenzyloxy)-5-methylphenyl)pyridine
CID 44409820
2-(4-Methoxyphenyl)-5-pentylpyridine
CID 2058335
5-(4-Chloro-phenyl)-2-[4-(2-pyrrolidin-1-yl-ethoxy)-phenylethynyl]-pyridine
CID 9978490
3-(4-Methoxybenzylidene)anabaseine
CID 11601561
5-(4-Chlorophenyl)-2-[2-[4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]ethynyl]pyridine
CID 59835728
5-(4-Chloro-phenyl)-3-fluoro-2-{4-[2-(4-methyl-piperidin-1-yl)-ethoxy]-phenylethynyl}-pyridine
CID 59835780
1-[2-[4-[2-[5-(4-Chlorophenyl)-2-pyridinyl]ethynyl]phenoxy]ethyl]-4-methylpiperazine
CID 59835853
[(2S)-1-[2-[4-[2-[5-(4-chlorophenyl)-2-pyridinyl]ethynyl]-2-methylphenoxy]ethyl]pyrrolidin-2-yl]methanol
CID 59835879
2-(4-Chloro-phenyl)-5-[4-(2-pyrrolidin-1-yl-ethoxy)-phenylethynyl]-pyridine
CID 59835909
N-(pyridin-3-yl)-3-(3-fluorophenyl)-4-methoxybenzylamine
CID 141732282
US10155760, Example 217
CID 118420141

Frequently Asked Questions

What is the IUPAC name of 1-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-pyridinyl]-N-methylmethanimine?
The IUPAC name of 1-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-pyridinyl]-N-methylmethanimine (CID 91610814) is 1-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-pyridinyl]-N-methylmethanimine.
What is the SMILES notation for 1-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-pyridinyl]-N-methylmethanimine?
The canonical SMILES for 1-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-pyridinyl]-N-methylmethanimine is C/N=C/c1ccc(Cc2ccc(OC)c(-c3cccc(Cl)c3)c2F)cn1.
What is the InChIKey of 1-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-pyridinyl]-N-methylmethanimine?
The InChIKey is WNPVAWSQUDMDRB-ZMOGYAJESA-N. The full InChI is InChI=1S/C21H18ClFN2O/c1-24-13-18-8-6-14(12-25-18)10-16-7-9-19(26-2)20(21(16)23)15-4-3-5-17(22)11-15/h3-9,11-13H,10H2,1-2H3/b24-13+.
What are the key properties of 1-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-pyridinyl]-N-methylmethanimine?
1-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-pyridinyl]-N-methylmethanimine has a molecular weight of 368.84 g/mol, XLogP of 5.19, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-pyridinyl]-N-methylmethanimine is sourced from PubChem (CID 91610814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).