N-(3-fluoro-2-methylphenyl)-1-[6-[(3-fluoro-2-methylphenyl)iminomethyl]-2-pyridinyl]methanimine

C21H17F2N3 — CID 141022243

IUPACN-(3-fluoro-2-methylphenyl)-1-[6-[(3-fluoro-2-methylphenyl)iminomethyl]-2-pyridinyl]methanimine
SMILESCc1c(F)cccc1/N=C/c1cccc(/C=N/c2cccc(F)c2C)n1
InChIInChI=1S/C21H17F2N3/c1-14-18(22)8-4-10-20(14)24-12-16-6-3-7-17(26-16)13-25-21-11-5-9-19(23)15(21)2/h3-13H,1-2H3/b24-12+,25-13+
InChIKeyGBWJOZQYPNUDLJ-DWGHPKEWSA-N
MW349.38 g/mol
LogP5.48
Rot. Bonds4

About N-(3-fluoro-2-methylphenyl)-1-[6-[(3-fluoro-2-methylphenyl)iminomethyl]-2-pyridinyl]methanimine

N-(3-fluoro-2-methylphenyl)-1-[6-[(3-fluoro-2-methylphenyl)iminomethyl]-2-pyridinyl]methanimine (PubChem CID 141022243) has the molecular formula C21H17F2N3 and a molecular weight of 349.38 g/mol. Its IUPAC name is N-(3-fluoro-2-methylphenyl)-1-[6-[(3-fluoro-2-methylphenyl)iminomethyl]-2-pyridinyl]methanimine.

Molecular Properties

Compound NameN-(3-fluoro-2-methylphenyl)-1-[6-[(3-fluoro-2-methylphenyl)iminomethyl]-2-pyridinyl]methanimine
PubChem CID141022243
Molecular FormulaC21H17F2N3
Molecular Weight349.38 g/mol
Exact Mass349.14
IUPAC NameN-(3-fluoro-2-methylphenyl)-1-[6-[(3-fluoro-2-methylphenyl)iminomethyl]-2-pyridinyl]methanimine
SMILESCc1c(F)cccc1/N=C/c1cccc(/C=N/c2cccc(F)c2C)n1
InChIInChI=1S/C21H17F2N3/c1-14-18(22)8-4-10-20(14)24-12-16-6-3-7-17(26-16)13-25-21-11-5-9-19(23)15(21)2/h3-13H,1-2H3/b24-12+,25-13+
InChIKeyGBWJOZQYPNUDLJ-DWGHPKEWSA-N
XLogP5.48
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.38
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2,3,4,5,6-pentamethylphenyl)-1-[6-[(2,3,4,5,6-pentamethylphenyl)iminomethyl]-2-pyridinyl]methanimine
CID 90442397
4-chloro-2-[(3-fluoro-2-methylphenyl)iminomethyl]phenol
CID 135657382
1-azido-3-fluoro-2-methylbenzene
CID 56828422
1-(6-methyl-2-pyridinyl)-N-[2-[2-[2-[(6-methyl-2-pyridinyl)methylideneamino]phenyl]ethyl]phenyl]methanimine
CID 139079886
iron;bis(propan-2-one);N-(2-propan-2-ylphenyl)-1-[6-[(2-propan-2-ylphenyl)iminomethyl]-2-pyridinyl]methanimine
CID 175270466
carbanide;iron(2+);N-(2,4,6-trimethylphenyl)-1-[6-[(2,4,6-trimethylphenyl)iminomethyl]-2-pyridinyl]methanimine
CID 22968339
N-(2,6-diethylphenyl)-1-[6-[(2,6-diethylphenyl)iminomethyl]-2-pyridinyl]methanimine;iron(3+);trichloride
CID 70014772
2,4-ditert-butyl-6-[[6-[(2-hydroxyphenyl)iminomethyl]-2-pyridinyl]methylideneamino]phenol
CID 177418158
N-[[6-[(E)-hydroxyiminomethyl]-2-pyridinyl]methylidene]hydroxylamine
CID 135678754
2,8-difluoro-1-methylnaphthalene
CID 138605112
5-[[6-[(2,4-dioxo-1H-pyrimidin-5-yl)iminomethyl]-2-pyridinyl]methylideneamino]-1H-pyrimidine-2,4-dione
CID 139060092
N-[4-[tris(4-tert-butylphenyl)methyl]phenyl]-1-[6-[[4-[tris(4-tert-butylphenyl)methyl]phenyl]iminomethyl]-2-pyridinyl]methanimine
CID 101345246

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-2-methylphenyl)-1-[6-[(3-fluoro-2-methylphenyl)iminomethyl]-2-pyridinyl]methanimine?
The IUPAC name of N-(3-fluoro-2-methylphenyl)-1-[6-[(3-fluoro-2-methylphenyl)iminomethyl]-2-pyridinyl]methanimine (CID 141022243) is N-(3-fluoro-2-methylphenyl)-1-[6-[(3-fluoro-2-methylphenyl)iminomethyl]-2-pyridinyl]methanimine.
What is the SMILES notation for N-(3-fluoro-2-methylphenyl)-1-[6-[(3-fluoro-2-methylphenyl)iminomethyl]-2-pyridinyl]methanimine?
The canonical SMILES for N-(3-fluoro-2-methylphenyl)-1-[6-[(3-fluoro-2-methylphenyl)iminomethyl]-2-pyridinyl]methanimine is Cc1c(F)cccc1/N=C/c1cccc(/C=N/c2cccc(F)c2C)n1.
What is the InChIKey of N-(3-fluoro-2-methylphenyl)-1-[6-[(3-fluoro-2-methylphenyl)iminomethyl]-2-pyridinyl]methanimine?
The InChIKey is GBWJOZQYPNUDLJ-DWGHPKEWSA-N. The full InChI is InChI=1S/C21H17F2N3/c1-14-18(22)8-4-10-20(14)24-12-16-6-3-7-17(26-16)13-25-21-11-5-9-19(23)15(21)2/h3-13H,1-2H3/b24-12+,25-13+.
What are the key properties of N-(3-fluoro-2-methylphenyl)-1-[6-[(3-fluoro-2-methylphenyl)iminomethyl]-2-pyridinyl]methanimine?
N-(3-fluoro-2-methylphenyl)-1-[6-[(3-fluoro-2-methylphenyl)iminomethyl]-2-pyridinyl]methanimine has a molecular weight of 349.38 g/mol, XLogP of 5.48, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-2-methylphenyl)-1-[6-[(3-fluoro-2-methylphenyl)iminomethyl]-2-pyridinyl]methanimine is sourced from PubChem (CID 141022243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).