2-fluoro-4-methyl-6-[(E)-3-pyridin-3-ylprop-2-enimidoyl]aniline

C15H14FN3 — CID 142836156

IUPAC2-fluoro-4-methyl-6-[(E)-3-pyridin-3-ylprop-2-enimidoyl]aniline
SMILES[H]/N=C(\C=C\c1cccnc1)c1cc(C)cc(F)c1N
InChIInChI=1S/C15H14FN3/c1-10-7-12(15(18)13(16)8-10)14(17)5-4-11-3-2-6-19-9-11/h2-9,17H,18H2,1H3/b5-4+,17-14+
InChIKeyHXXJRIDKZYLXHK-HHTJSAMESA-N
MW255.30 g/mol
LogP3.19
Rot. Bonds3

About 2-fluoro-4-methyl-6-[(E)-3-pyridin-3-ylprop-2-enimidoyl]aniline

2-fluoro-4-methyl-6-[(E)-3-pyridin-3-ylprop-2-enimidoyl]aniline (PubChem CID 142836156) has the molecular formula C15H14FN3 and a molecular weight of 255.30 g/mol. Its IUPAC name is 2-fluoro-4-methyl-6-[(E)-3-pyridin-3-ylprop-2-enimidoyl]aniline.

Molecular Properties

Compound Name2-fluoro-4-methyl-6-[(E)-3-pyridin-3-ylprop-2-enimidoyl]aniline
PubChem CID142836156
Molecular FormulaC15H14FN3
Molecular Weight255.30 g/mol
Exact Mass255.12
IUPAC Name2-fluoro-4-methyl-6-[(E)-3-pyridin-3-ylprop-2-enimidoyl]aniline
SMILES[H]/N=C(\C=C\c1cccnc1)c1cc(C)cc(F)c1N
InChIInChI=1S/C15H14FN3/c1-10-7-12(15(18)13(16)8-10)14(17)5-4-11-3-2-6-19-9-11/h2-9,17H,18H2,1H3/b5-4+,17-14+
InChIKeyHXXJRIDKZYLXHK-HHTJSAMESA-N
XLogP3.19
TPSA62.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.30
LogP ≤ 53.19
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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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-methyl-6-[(E)-3-pyridin-3-ylprop-2-enimidoyl]aniline?
The IUPAC name of 2-fluoro-4-methyl-6-[(E)-3-pyridin-3-ylprop-2-enimidoyl]aniline (CID 142836156) is 2-fluoro-4-methyl-6-[(E)-3-pyridin-3-ylprop-2-enimidoyl]aniline.
What is the SMILES notation for 2-fluoro-4-methyl-6-[(E)-3-pyridin-3-ylprop-2-enimidoyl]aniline?
The canonical SMILES for 2-fluoro-4-methyl-6-[(E)-3-pyridin-3-ylprop-2-enimidoyl]aniline is [H]/N=C(\C=C\c1cccnc1)c1cc(C)cc(F)c1N.
What is the InChIKey of 2-fluoro-4-methyl-6-[(E)-3-pyridin-3-ylprop-2-enimidoyl]aniline?
The InChIKey is HXXJRIDKZYLXHK-HHTJSAMESA-N. The full InChI is InChI=1S/C15H14FN3/c1-10-7-12(15(18)13(16)8-10)14(17)5-4-11-3-2-6-19-9-11/h2-9,17H,18H2,1H3/b5-4+,17-14+.
What are the key properties of 2-fluoro-4-methyl-6-[(E)-3-pyridin-3-ylprop-2-enimidoyl]aniline?
2-fluoro-4-methyl-6-[(E)-3-pyridin-3-ylprop-2-enimidoyl]aniline has a molecular weight of 255.30 g/mol, XLogP of 3.19, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-methyl-6-[(E)-3-pyridin-3-ylprop-2-enimidoyl]aniline is sourced from PubChem (CID 142836156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).