5-[2-(3-fluorophenyl)-3-pyridinyl]-2-methanimidoylaniline

C18H14FN3 — CID 123941283

IUPAC5-[2-(3-fluorophenyl)-3-pyridinyl]-2-methanimidoylaniline
SMILES[H]/N=C/c1ccc(-c2cccnc2-c2cccc(F)c2)cc1N
InChIInChI=1S/C18H14FN3/c19-15-4-1-3-13(9-15)18-16(5-2-8-22-18)12-6-7-14(11-20)17(21)10-12/h1-11,20H,21H2/b20-11+
InChIKeyLOXBFYFZGGNAOZ-RGVLZGJSSA-N
MW291.33 g/mol
LogP4.13
Rot. Bonds3

About 5-[2-(3-fluorophenyl)-3-pyridinyl]-2-methanimidoylaniline

5-[2-(3-fluorophenyl)-3-pyridinyl]-2-methanimidoylaniline (PubChem CID 123941283) has the molecular formula C18H14FN3 and a molecular weight of 291.33 g/mol. Its IUPAC name is 5-[2-(3-fluorophenyl)-3-pyridinyl]-2-methanimidoylaniline.

Molecular Properties

Compound Name5-[2-(3-fluorophenyl)-3-pyridinyl]-2-methanimidoylaniline
PubChem CID123941283
Molecular FormulaC18H14FN3
Molecular Weight291.33 g/mol
Exact Mass291.12
IUPAC Name5-[2-(3-fluorophenyl)-3-pyridinyl]-2-methanimidoylaniline
SMILES[H]/N=C/c1ccc(-c2cccnc2-c2cccc(F)c2)cc1N
InChIInChI=1S/C18H14FN3/c19-15-4-1-3-13(9-15)18-16(5-2-8-22-18)12-6-7-14(11-20)17(21)10-12/h1-11,20H,21H2/b20-11+
InChIKeyLOXBFYFZGGNAOZ-RGVLZGJSSA-N
XLogP4.13
TPSA62.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(5-fluoro-2-pyridinyl)-3-pyridinyl]-2-methanimidoylaniline
CID 145141528
3-(3,4-dimethylphenyl)-2-(3-fluorophenyl)pyridine
CID 144943522
2-(3-fluorophenyl)-3-(4-methylsulfinylphenyl)pyridine
CID 57228575
7-[2-(3-fluorophenyl)-3-pyridinyl]-2-methyl-1,2-dihydroquinoline
CID 123225555
(2-phenyl-3-pyridinyl)methanimine
CID 90856278
[2-[2-(2-methanimidoylphenyl)-3-pyridinyl]phenyl]methanimine
CID 87826913
2-amino-5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(2-hydroxyethyl)-3-methanimidoylbenzamide
CID 167217299
2-[1-[2-(3-fluorophenyl)-1,5-naphthyridin-3-yl]ethyl]isoindole-1,3-dione
CID 58318641
3-(3-fluorophenyl)-2-propan-2-ylpyridine
CID 90162322
2-[2-(3-fluorophenyl)-3-pyridinyl]acetic acid
CID 117001575
6-[2-(3-fluorophenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carbonitrile
CID 90095249
6-[2-(3,4-difluorophenyl)-3-pyridinyl]quinazolin-4-amine
CID 90094988

Frequently Asked Questions

What is the IUPAC name of 5-[2-(3-fluorophenyl)-3-pyridinyl]-2-methanimidoylaniline?
The IUPAC name of 5-[2-(3-fluorophenyl)-3-pyridinyl]-2-methanimidoylaniline (CID 123941283) is 5-[2-(3-fluorophenyl)-3-pyridinyl]-2-methanimidoylaniline.
What is the SMILES notation for 5-[2-(3-fluorophenyl)-3-pyridinyl]-2-methanimidoylaniline?
The canonical SMILES for 5-[2-(3-fluorophenyl)-3-pyridinyl]-2-methanimidoylaniline is [H]/N=C/c1ccc(-c2cccnc2-c2cccc(F)c2)cc1N.
What is the InChIKey of 5-[2-(3-fluorophenyl)-3-pyridinyl]-2-methanimidoylaniline?
The InChIKey is LOXBFYFZGGNAOZ-RGVLZGJSSA-N. The full InChI is InChI=1S/C18H14FN3/c19-15-4-1-3-13(9-15)18-16(5-2-8-22-18)12-6-7-14(11-20)17(21)10-12/h1-11,20H,21H2/b20-11+.
What are the key properties of 5-[2-(3-fluorophenyl)-3-pyridinyl]-2-methanimidoylaniline?
5-[2-(3-fluorophenyl)-3-pyridinyl]-2-methanimidoylaniline has a molecular weight of 291.33 g/mol, XLogP of 4.13, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3-fluorophenyl)-3-pyridinyl]-2-methanimidoylaniline is sourced from PubChem (CID 123941283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).