2-amino-4-(4-fluorophenyl)-5-methyl-6-propan-2-ylpyridine-3-carbaldehyde

C16H17FN2O — CID 59788810

IUPAC2-amino-4-(4-fluorophenyl)-5-methyl-6-propan-2-ylpyridine-3-carbaldehyde
SMILESCc1c(C(C)C)nc(N)c(C=O)c1-c1ccc(F)cc1
InChIInChI=1S/C16H17FN2O/c1-9(2)15-10(3)14(13(8-20)16(18)19-15)11-4-6-12(17)7-5-11/h4-9H,1-3H3,(H2,18,19)
InChIKeyNDMLJYFQUDXDOT-UHFFFAOYSA-N
MW272.32 g/mol
LogP3.71
Rot. Bonds3

About 2-amino-4-(4-fluorophenyl)-5-methyl-6-propan-2-ylpyridine-3-carbaldehyde

2-amino-4-(4-fluorophenyl)-5-methyl-6-propan-2-ylpyridine-3-carbaldehyde (PubChem CID 59788810) has the molecular formula C16H17FN2O and a molecular weight of 272.32 g/mol. Its IUPAC name is 2-amino-4-(4-fluorophenyl)-5-methyl-6-propan-2-ylpyridine-3-carbaldehyde.

Molecular Properties

Compound Name2-amino-4-(4-fluorophenyl)-5-methyl-6-propan-2-ylpyridine-3-carbaldehyde
PubChem CID59788810
Molecular FormulaC16H17FN2O
Molecular Weight272.32 g/mol
Exact Mass272.13
IUPAC Name2-amino-4-(4-fluorophenyl)-5-methyl-6-propan-2-ylpyridine-3-carbaldehyde
SMILESCc1c(C(C)C)nc(N)c(C=O)c1-c1ccc(F)cc1
InChIInChI=1S/C16H17FN2O/c1-9(2)15-10(3)14(13(8-20)16(18)19-15)11-4-6-12(17)7-5-11/h4-9H,1-3H3,(H2,18,19)
InChIKeyNDMLJYFQUDXDOT-UHFFFAOYSA-N
XLogP3.71
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.32
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(4-fluorophenyl)-5-methyl-6-propan-2-ylpyridine-3-carbaldehyde?
The IUPAC name of 2-amino-4-(4-fluorophenyl)-5-methyl-6-propan-2-ylpyridine-3-carbaldehyde (CID 59788810) is 2-amino-4-(4-fluorophenyl)-5-methyl-6-propan-2-ylpyridine-3-carbaldehyde.
What is the SMILES notation for 2-amino-4-(4-fluorophenyl)-5-methyl-6-propan-2-ylpyridine-3-carbaldehyde?
The canonical SMILES for 2-amino-4-(4-fluorophenyl)-5-methyl-6-propan-2-ylpyridine-3-carbaldehyde is Cc1c(C(C)C)nc(N)c(C=O)c1-c1ccc(F)cc1.
What is the InChIKey of 2-amino-4-(4-fluorophenyl)-5-methyl-6-propan-2-ylpyridine-3-carbaldehyde?
The InChIKey is NDMLJYFQUDXDOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O/c1-9(2)15-10(3)14(13(8-20)16(18)19-15)11-4-6-12(17)7-5-11/h4-9H,1-3H3,(H2,18,19).
What are the key properties of 2-amino-4-(4-fluorophenyl)-5-methyl-6-propan-2-ylpyridine-3-carbaldehyde?
2-amino-4-(4-fluorophenyl)-5-methyl-6-propan-2-ylpyridine-3-carbaldehyde has a molecular weight of 272.32 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(4-fluorophenyl)-5-methyl-6-propan-2-ylpyridine-3-carbaldehyde is sourced from PubChem (CID 59788810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).