(3-ethyl-5-fluoro-2-methyl-2,3-dihydropyridin-4-yl)methanimine

C9H13FN2 — CID 154930431

IUPAC(3-ethyl-5-fluoro-2-methyl-2,3-dihydropyridin-4-yl)methanimine
SMILES[H]/N=C/C1=C(F)C=NC(C)C1CC
InChIInChI=1S/C9H13FN2/c1-3-7-6(2)12-5-9(10)8(7)4-11/h4-7,11H,3H2,1-2H3/b11-4+
InChIKeyVSGVTWYCLIXTLW-NYYWCZLTSA-N
MW168.22 g/mol
LogP2.36
Rot. Bonds2

About (3-ethyl-5-fluoro-2-methyl-2,3-dihydropyridin-4-yl)methanimine

(3-ethyl-5-fluoro-2-methyl-2,3-dihydropyridin-4-yl)methanimine (PubChem CID 154930431) has the molecular formula C9H13FN2 and a molecular weight of 168.22 g/mol. Its IUPAC name is (3-ethyl-5-fluoro-2-methyl-2,3-dihydropyridin-4-yl)methanimine.

Molecular Properties

Compound Name(3-ethyl-5-fluoro-2-methyl-2,3-dihydropyridin-4-yl)methanimine
PubChem CID154930431
Molecular FormulaC9H13FN2
Molecular Weight168.22 g/mol
Exact Mass168.11
IUPAC Name(3-ethyl-5-fluoro-2-methyl-2,3-dihydropyridin-4-yl)methanimine
SMILES[H]/N=C/C1=C(F)C=NC(C)C1CC
InChIInChI=1S/C9H13FN2/c1-3-7-6(2)12-5-9(10)8(7)4-11/h4-7,11H,3H2,1-2H3/b11-4+
InChIKeyVSGVTWYCLIXTLW-NYYWCZLTSA-N
XLogP2.36
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.22
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 (3-ethyl-5-fluoro-2-methyl-2,3-dihydropyridin-4-yl)methanimine?
The IUPAC name of (3-ethyl-5-fluoro-2-methyl-2,3-dihydropyridin-4-yl)methanimine (CID 154930431) is (3-ethyl-5-fluoro-2-methyl-2,3-dihydropyridin-4-yl)methanimine.
What is the SMILES notation for (3-ethyl-5-fluoro-2-methyl-2,3-dihydropyridin-4-yl)methanimine?
The canonical SMILES for (3-ethyl-5-fluoro-2-methyl-2,3-dihydropyridin-4-yl)methanimine is [H]/N=C/C1=C(F)C=NC(C)C1CC.
What is the InChIKey of (3-ethyl-5-fluoro-2-methyl-2,3-dihydropyridin-4-yl)methanimine?
The InChIKey is VSGVTWYCLIXTLW-NYYWCZLTSA-N. The full InChI is InChI=1S/C9H13FN2/c1-3-7-6(2)12-5-9(10)8(7)4-11/h4-7,11H,3H2,1-2H3/b11-4+.
What are the key properties of (3-ethyl-5-fluoro-2-methyl-2,3-dihydropyridin-4-yl)methanimine?
(3-ethyl-5-fluoro-2-methyl-2,3-dihydropyridin-4-yl)methanimine has a molecular weight of 168.22 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-5-fluoro-2-methyl-2,3-dihydropyridin-4-yl)methanimine is sourced from PubChem (CID 154930431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).