2-amino-4-(4-fluorophenyl)-6-propan-2-ylpyridine-3,5-dicarbaldehyde

C16H15FN2O2 — CID 89245668

IUPAC2-amino-4-(4-fluorophenyl)-6-propan-2-ylpyridine-3,5-dicarbaldehyde
SMILESCC(C)c1nc(N)c(C=O)c(-c2ccc(F)cc2)c1C=O
InChIInChI=1S/C16H15FN2O2/c1-9(2)15-12(7-20)14(13(8-21)16(18)19-15)10-3-5-11(17)6-4-10/h3-9H,1-2H3,(H2,18,19)
InChIKeyFLORRBKEOFZFIK-UHFFFAOYSA-N
MW286.31 g/mol
LogP3.22
Rot. Bonds4

About 2-amino-4-(4-fluorophenyl)-6-propan-2-ylpyridine-3,5-dicarbaldehyde

2-amino-4-(4-fluorophenyl)-6-propan-2-ylpyridine-3,5-dicarbaldehyde (PubChem CID 89245668) has the molecular formula C16H15FN2O2 and a molecular weight of 286.31 g/mol. Its IUPAC name is 2-amino-4-(4-fluorophenyl)-6-propan-2-ylpyridine-3,5-dicarbaldehyde.

Molecular Properties

Compound Name2-amino-4-(4-fluorophenyl)-6-propan-2-ylpyridine-3,5-dicarbaldehyde
PubChem CID89245668
Molecular FormulaC16H15FN2O2
Molecular Weight286.31 g/mol
Exact Mass286.11
IUPAC Name2-amino-4-(4-fluorophenyl)-6-propan-2-ylpyridine-3,5-dicarbaldehyde
SMILESCC(C)c1nc(N)c(C=O)c(-c2ccc(F)cc2)c1C=O
InChIInChI=1S/C16H15FN2O2/c1-9(2)15-12(7-20)14(13(8-21)16(18)19-15)10-3-5-11(17)6-4-10/h3-9H,1-2H3,(H2,18,19)
InChIKeyFLORRBKEOFZFIK-UHFFFAOYSA-N
XLogP3.22
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-Acyl-2,6-diaminopyridine deriv. 3a
CID 5330840
3-Acyl-2,6-diaminopyridine deriv. 3b
CID 5330841
2-(4-Fluoro-phenylamino)-4,6-dimethyl-nicotinamide
CID 686880
2-(3-Fluoro-phenyl)-5,7-dimethyl-1H-[1,8]naphthyridin-4-one
CID 5468785
5-Acetyl-2-methyl-6-(methylamino)-4-phenylpyridine-3-carbonitrile
CID 657615
2-(4-Fluoro-phenyl)-5,7-dimethyl-1H-[1,8]naphthyridin-4-one
CID 5468911
2-Amino-6-methylnicotinaldehyde
CID 53401030
3-(4-fluorobenzoyl)-7-methyl-1,8-naphthyridin-4(1H)-one
CID 20929733
2-amino-4-(4-fluorophenyl)-5-oxo-7,8-dihydro-6H-quinoline-3-carbonitrile
CID 44437094
2-amino-4-(4-methylphenyl)-5-oxo-7,8-dihydro-6H-quinoline-3-carboxamide
CID 44437112
2-Amino-4-(4-fluorophenyl)-3-formyl-5-methoxycarbonyl-6-isopropyl-pyridine
CID 11438468
2-Amino-4,6-diphenylnicotinamide
CID 11483123

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(4-fluorophenyl)-6-propan-2-ylpyridine-3,5-dicarbaldehyde?
The IUPAC name of 2-amino-4-(4-fluorophenyl)-6-propan-2-ylpyridine-3,5-dicarbaldehyde (CID 89245668) is 2-amino-4-(4-fluorophenyl)-6-propan-2-ylpyridine-3,5-dicarbaldehyde.
What is the SMILES notation for 2-amino-4-(4-fluorophenyl)-6-propan-2-ylpyridine-3,5-dicarbaldehyde?
The canonical SMILES for 2-amino-4-(4-fluorophenyl)-6-propan-2-ylpyridine-3,5-dicarbaldehyde is CC(C)c1nc(N)c(C=O)c(-c2ccc(F)cc2)c1C=O.
What is the InChIKey of 2-amino-4-(4-fluorophenyl)-6-propan-2-ylpyridine-3,5-dicarbaldehyde?
The InChIKey is FLORRBKEOFZFIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O2/c1-9(2)15-12(7-20)14(13(8-21)16(18)19-15)10-3-5-11(17)6-4-10/h3-9H,1-2H3,(H2,18,19).
What are the key properties of 2-amino-4-(4-fluorophenyl)-6-propan-2-ylpyridine-3,5-dicarbaldehyde?
2-amino-4-(4-fluorophenyl)-6-propan-2-ylpyridine-3,5-dicarbaldehyde has a molecular weight of 286.31 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(4-fluorophenyl)-6-propan-2-ylpyridine-3,5-dicarbaldehyde is sourced from PubChem (CID 89245668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).