6-cyclopropyl-4-(4-fluorophenyl)-2-propan-2-ylpyridine-3-carbaldehyde

C18H18FNO — CID 21471325

IUPAC6-cyclopropyl-4-(4-fluorophenyl)-2-propan-2-ylpyridine-3-carbaldehyde
SMILESCC(C)c1nc(C2CC2)cc(-c2ccc(F)cc2)c1C=O
InChIInChI=1S/C18H18FNO/c1-11(2)18-16(10-21)15(9-17(20-18)13-3-4-13)12-5-7-14(19)8-6-12/h5-11,13H,3-4H2,1-2H3
InChIKeyITMLNDXITGPNKG-UHFFFAOYSA-N
MW283.35 g/mol
LogP4.70
Rot. Bonds4

About 6-cyclopropyl-4-(4-fluorophenyl)-2-propan-2-ylpyridine-3-carbaldehyde

6-cyclopropyl-4-(4-fluorophenyl)-2-propan-2-ylpyridine-3-carbaldehyde (PubChem CID 21471325) has the molecular formula C18H18FNO and a molecular weight of 283.35 g/mol. Its IUPAC name is 6-cyclopropyl-4-(4-fluorophenyl)-2-propan-2-ylpyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-cyclopropyl-4-(4-fluorophenyl)-2-propan-2-ylpyridine-3-carbaldehyde
PubChem CID21471325
Molecular FormulaC18H18FNO
Molecular Weight283.35 g/mol
Exact Mass283.14
IUPAC Name6-cyclopropyl-4-(4-fluorophenyl)-2-propan-2-ylpyridine-3-carbaldehyde
SMILESCC(C)c1nc(C2CC2)cc(-c2ccc(F)cc2)c1C=O
InChIInChI=1S/C18H18FNO/c1-11(2)18-16(10-21)15(9-17(20-18)13-3-4-13)12-5-7-14(19)8-6-12/h5-11,13H,3-4H2,1-2H3
InChIKeyITMLNDXITGPNKG-UHFFFAOYSA-N
XLogP4.70
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-(4-Fluorophenyl)-2-pyridinecarboxaldehyde
CID 16217950
3-(2-Fluorophenyl)-1-(2-methyl-5,6,7,8-tetrahydro-3-quinolinyl)-2-propen-1-one
CID 5331678
2-(3-Fluorophenyl)nicotinaldehyde
CID 46313098
1-(2-Methyl-6-phenylpyridin-3-yl)ethanone
CID 900920
2,6-Dimethylnicotinaldehyde
CID 2784753
6-Phenylpyridine-2-carbaldehyde
CID 13522416
6-(2-Methylphenyl)pyridine-3-carbaldehyde
CID 24729662
6-(2,4-Difluorophenyl)-3-pyridinecarbaldehyde
CID 24729763
6-Fluoro-2-methylpyridine-3-carbaldehyde
CID 40427361
2-Methyl-5,6,7,8-tetrahydroquinoline-4-carbaldehyde
CID 83854675
1-(4-Methyl-3-azatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-5-yl)ethanone
CID 45112903
2-(2-Fluorophenyl)nicotinaldehyde
CID 46313097

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-4-(4-fluorophenyl)-2-propan-2-ylpyridine-3-carbaldehyde?
The IUPAC name of 6-cyclopropyl-4-(4-fluorophenyl)-2-propan-2-ylpyridine-3-carbaldehyde (CID 21471325) is 6-cyclopropyl-4-(4-fluorophenyl)-2-propan-2-ylpyridine-3-carbaldehyde.
What is the SMILES notation for 6-cyclopropyl-4-(4-fluorophenyl)-2-propan-2-ylpyridine-3-carbaldehyde?
The canonical SMILES for 6-cyclopropyl-4-(4-fluorophenyl)-2-propan-2-ylpyridine-3-carbaldehyde is CC(C)c1nc(C2CC2)cc(-c2ccc(F)cc2)c1C=O.
What is the InChIKey of 6-cyclopropyl-4-(4-fluorophenyl)-2-propan-2-ylpyridine-3-carbaldehyde?
The InChIKey is ITMLNDXITGPNKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO/c1-11(2)18-16(10-21)15(9-17(20-18)13-3-4-13)12-5-7-14(19)8-6-12/h5-11,13H,3-4H2,1-2H3.
What are the key properties of 6-cyclopropyl-4-(4-fluorophenyl)-2-propan-2-ylpyridine-3-carbaldehyde?
6-cyclopropyl-4-(4-fluorophenyl)-2-propan-2-ylpyridine-3-carbaldehyde has a molecular weight of 283.35 g/mol, XLogP of 4.70, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-4-(4-fluorophenyl)-2-propan-2-ylpyridine-3-carbaldehyde is sourced from PubChem (CID 21471325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).