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

C16H16FNO — CID 21471296

IUPAC4-(4-fluorophenyl)-6-methyl-2-propan-2-ylpyridine-3-carbaldehyde
SMILESCc1cc(-c2ccc(F)cc2)c(C=O)c(C(C)C)n1
InChIInChI=1S/C16H16FNO/c1-10(2)16-15(9-19)14(8-11(3)18-16)12-4-6-13(17)7-5-12/h4-10H,1-3H3
InChIKeyOEJXYUFRIWRLSG-UHFFFAOYSA-N
MW257.31 g/mol
LogP4.13
Rot. Bonds3

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

4-(4-fluorophenyl)-6-methyl-2-propan-2-ylpyridine-3-carbaldehyde (PubChem CID 21471296) has the molecular formula C16H16FNO and a molecular weight of 257.31 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-6-methyl-2-propan-2-ylpyridine-3-carbaldehyde.

Molecular Properties

Compound Name4-(4-fluorophenyl)-6-methyl-2-propan-2-ylpyridine-3-carbaldehyde
PubChem CID21471296
Molecular FormulaC16H16FNO
Molecular Weight257.31 g/mol
Exact Mass257.12
IUPAC Name4-(4-fluorophenyl)-6-methyl-2-propan-2-ylpyridine-3-carbaldehyde
SMILESCc1cc(-c2ccc(F)cc2)c(C=O)c(C(C)C)n1
InChIInChI=1S/C16H16FNO/c1-10(2)16-15(9-19)14(8-11(3)18-16)12-4-6-13(17)7-5-12/h4-10H,1-3H3
InChIKeyOEJXYUFRIWRLSG-UHFFFAOYSA-N
XLogP4.13
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 54.13
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)-6-methyl-2-propan-2-ylpyridine-3-carbaldehyde?
The IUPAC name of 4-(4-fluorophenyl)-6-methyl-2-propan-2-ylpyridine-3-carbaldehyde (CID 21471296) is 4-(4-fluorophenyl)-6-methyl-2-propan-2-ylpyridine-3-carbaldehyde.
What is the SMILES notation for 4-(4-fluorophenyl)-6-methyl-2-propan-2-ylpyridine-3-carbaldehyde?
The canonical SMILES for 4-(4-fluorophenyl)-6-methyl-2-propan-2-ylpyridine-3-carbaldehyde is Cc1cc(-c2ccc(F)cc2)c(C=O)c(C(C)C)n1.
What is the InChIKey of 4-(4-fluorophenyl)-6-methyl-2-propan-2-ylpyridine-3-carbaldehyde?
The InChIKey is OEJXYUFRIWRLSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO/c1-10(2)16-15(9-19)14(8-11(3)18-16)12-4-6-13(17)7-5-12/h4-10H,1-3H3.
What are the key properties of 4-(4-fluorophenyl)-6-methyl-2-propan-2-ylpyridine-3-carbaldehyde?
4-(4-fluorophenyl)-6-methyl-2-propan-2-ylpyridine-3-carbaldehyde has a molecular weight of 257.31 g/mol, XLogP of 4.13, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-6-methyl-2-propan-2-ylpyridine-3-carbaldehyde is sourced from PubChem (CID 21471296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).