6-(2,4-difluorophenyl)-3-(3-ethoxypropyl)-3,4-dihydropyridine

C16H19F2NO — CID 123593771

IUPAC6-(2,4-difluorophenyl)-3-(3-ethoxypropyl)-3,4-dihydropyridine
SMILESCCOCCCC1C=NC(c2ccc(F)cc2F)=CC1
InChIInChI=1S/C16H19F2NO/c1-2-20-9-3-4-12-5-8-16(19-11-12)14-7-6-13(17)10-15(14)18/h6-8,10-12H,2-5,9H2,1H3
InChIKeyPZJVCUAZRXUBOX-UHFFFAOYSA-N
MW279.33 g/mol
LogP4.21
Rot. Bonds6

About 6-(2,4-difluorophenyl)-3-(3-ethoxypropyl)-3,4-dihydropyridine

6-(2,4-difluorophenyl)-3-(3-ethoxypropyl)-3,4-dihydropyridine (PubChem CID 123593771) has the molecular formula C16H19F2NO and a molecular weight of 279.33 g/mol. Its IUPAC name is 6-(2,4-difluorophenyl)-3-(3-ethoxypropyl)-3,4-dihydropyridine.

Molecular Properties

Compound Name6-(2,4-difluorophenyl)-3-(3-ethoxypropyl)-3,4-dihydropyridine
PubChem CID123593771
Molecular FormulaC16H19F2NO
Molecular Weight279.33 g/mol
Exact Mass279.14
IUPAC Name6-(2,4-difluorophenyl)-3-(3-ethoxypropyl)-3,4-dihydropyridine
SMILESCCOCCCC1C=NC(c2ccc(F)cc2F)=CC1
InChIInChI=1S/C16H19F2NO/c1-2-20-9-3-4-12-5-8-16(19-11-12)14-7-6-13(17)10-15(14)18/h6-8,10-12H,2-5,9H2,1H3
InChIKeyPZJVCUAZRXUBOX-UHFFFAOYSA-N
XLogP4.21
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.33
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(4-Fluorocyclohexa-1,5-dien-1-yl)-4-methyl-6-phenyl-3,4-dihydropyridine
CID 89604207
6-(2,4-Difluorophenyl)-4-fluoro-3,4-dihydropyridine
CID 130181944
6-(2,4-Difluorophenyl)-5-fluoro-3-methyl-3,4-dihydropyridine
CID 138493607
[6-(4-fluorophenyl)-3-methyl-4-propan-2-yl-4H-pyridin-3-yl]methanol
CID 141008264
2-(2-fluorophenyl)-6-methoxy-4a,5,8,9,10,11-hexahydro-4H-pyrido[3,2-d][1]benzazepine
CID 141792981
5-[(6R)-6-fluoroheptoxy]-2-(4-methylphenyl)-2,5-dihydropyrimidine
CID 141997586
6-(2,6-Difluorophenyl)-5-methyl-3,4-dihydropyridine
CID 151969988
2-(2,2-dimethylpropoxymethyl)-N-[3-(trifluoromethyl)phenyl]butan-1-imine
CID 174517697
N-benzyl-3-methyloxan-2-imine
CID 134893941
(7E)-7-methoxy-8-phenyl-3,4,5,6-tetrahydroazocine
CID 134989630
(3Z,9Z)-2-N-[1-(2,3-difluorophenyl)ethenyl]-9-methoxy-1-N,3,7-trimethyl-11-(4-methylphenyl)dodeca-3,9,11-triene-1,2-diimine
CID 144027691
2-fluoro-2-methyl-N-[1-[4-(5-methyl-6-propoxyhex-1-en-2-yl)phenyl]ethenyl]pentan-3-imine
CID 145023908

Frequently Asked Questions

What is the IUPAC name of 6-(2,4-difluorophenyl)-3-(3-ethoxypropyl)-3,4-dihydropyridine?
The IUPAC name of 6-(2,4-difluorophenyl)-3-(3-ethoxypropyl)-3,4-dihydropyridine (CID 123593771) is 6-(2,4-difluorophenyl)-3-(3-ethoxypropyl)-3,4-dihydropyridine.
What is the SMILES notation for 6-(2,4-difluorophenyl)-3-(3-ethoxypropyl)-3,4-dihydropyridine?
The canonical SMILES for 6-(2,4-difluorophenyl)-3-(3-ethoxypropyl)-3,4-dihydropyridine is CCOCCCC1C=NC(c2ccc(F)cc2F)=CC1.
What is the InChIKey of 6-(2,4-difluorophenyl)-3-(3-ethoxypropyl)-3,4-dihydropyridine?
The InChIKey is PZJVCUAZRXUBOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F2NO/c1-2-20-9-3-4-12-5-8-16(19-11-12)14-7-6-13(17)10-15(14)18/h6-8,10-12H,2-5,9H2,1H3.
What are the key properties of 6-(2,4-difluorophenyl)-3-(3-ethoxypropyl)-3,4-dihydropyridine?
6-(2,4-difluorophenyl)-3-(3-ethoxypropyl)-3,4-dihydropyridine has a molecular weight of 279.33 g/mol, XLogP of 4.21, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-difluorophenyl)-3-(3-ethoxypropyl)-3,4-dihydropyridine is sourced from PubChem (CID 123593771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).