4-(4-fluorophenyl)-2,6-di(propan-2-yl)pyridine-3-carbaldehyde

C18H20FNO — CID 21471461

IUPAC4-(4-fluorophenyl)-2,6-di(propan-2-yl)pyridine-3-carbaldehyde
SMILESCC(C)c1cc(-c2ccc(F)cc2)c(C=O)c(C(C)C)n1
InChIInChI=1S/C18H20FNO/c1-11(2)17-9-15(13-5-7-14(19)8-6-13)16(10-21)18(20-17)12(3)4/h5-12H,1-4H3
InChIKeyDYXPZVQPCGCPRG-UHFFFAOYSA-N
MW285.36 g/mol
LogP4.95
Rot. Bonds4

About 4-(4-fluorophenyl)-2,6-di(propan-2-yl)pyridine-3-carbaldehyde

4-(4-fluorophenyl)-2,6-di(propan-2-yl)pyridine-3-carbaldehyde (PubChem CID 21471461) has the molecular formula C18H20FNO and a molecular weight of 285.36 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-2,6-di(propan-2-yl)pyridine-3-carbaldehyde.

Molecular Properties

Compound Name4-(4-fluorophenyl)-2,6-di(propan-2-yl)pyridine-3-carbaldehyde
PubChem CID21471461
Molecular FormulaC18H20FNO
Molecular Weight285.36 g/mol
Exact Mass285.15
IUPAC Name4-(4-fluorophenyl)-2,6-di(propan-2-yl)pyridine-3-carbaldehyde
SMILESCC(C)c1cc(-c2ccc(F)cc2)c(C=O)c(C(C)C)n1
InChIInChI=1S/C18H20FNO/c1-11(2)17-9-15(13-5-7-14(19)8-6-13)16(10-21)18(20-17)12(3)4/h5-12H,1-4H3
InChIKeyDYXPZVQPCGCPRG-UHFFFAOYSA-N
XLogP4.95
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.36
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-2,6-di(propan-2-yl)pyridine-3-carbaldehyde?
The IUPAC name of 4-(4-fluorophenyl)-2,6-di(propan-2-yl)pyridine-3-carbaldehyde (CID 21471461) is 4-(4-fluorophenyl)-2,6-di(propan-2-yl)pyridine-3-carbaldehyde.
What is the SMILES notation for 4-(4-fluorophenyl)-2,6-di(propan-2-yl)pyridine-3-carbaldehyde?
The canonical SMILES for 4-(4-fluorophenyl)-2,6-di(propan-2-yl)pyridine-3-carbaldehyde is CC(C)c1cc(-c2ccc(F)cc2)c(C=O)c(C(C)C)n1.
What is the InChIKey of 4-(4-fluorophenyl)-2,6-di(propan-2-yl)pyridine-3-carbaldehyde?
The InChIKey is DYXPZVQPCGCPRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO/c1-11(2)17-9-15(13-5-7-14(19)8-6-13)16(10-21)18(20-17)12(3)4/h5-12H,1-4H3.
What are the key properties of 4-(4-fluorophenyl)-2,6-di(propan-2-yl)pyridine-3-carbaldehyde?
4-(4-fluorophenyl)-2,6-di(propan-2-yl)pyridine-3-carbaldehyde has a molecular weight of 285.36 g/mol, XLogP of 4.95, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-2,6-di(propan-2-yl)pyridine-3-carbaldehyde is sourced from PubChem (CID 21471461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).