4-amino-6-cyclobutyl-5-fluoropyridine-2-carbaldehyde

C10H11FN2O — CID 86723389

IUPAC4-amino-6-cyclobutyl-5-fluoropyridine-2-carbaldehyde
SMILESNc1cc(C=O)nc(C2CCC2)c1F
InChIInChI=1S/C10H11FN2O/c11-9-8(12)4-7(5-14)13-10(9)6-2-1-3-6/h4-6H,1-3H2,(H2,12,13)
InChIKeyWKWNCAJJWXSFOB-UHFFFAOYSA-N
MW194.21 g/mol
LogP1.88
Rot. Bonds2

About 4-amino-6-cyclobutyl-5-fluoropyridine-2-carbaldehyde

4-amino-6-cyclobutyl-5-fluoropyridine-2-carbaldehyde (PubChem CID 86723389) has the molecular formula C10H11FN2O and a molecular weight of 194.21 g/mol. Its IUPAC name is 4-amino-6-cyclobutyl-5-fluoropyridine-2-carbaldehyde.

Molecular Properties

Compound Name4-amino-6-cyclobutyl-5-fluoropyridine-2-carbaldehyde
PubChem CID86723389
Molecular FormulaC10H11FN2O
Molecular Weight194.21 g/mol
Exact Mass194.09
IUPAC Name4-amino-6-cyclobutyl-5-fluoropyridine-2-carbaldehyde
SMILESNc1cc(C=O)nc(C2CCC2)c1F
InChIInChI=1S/C10H11FN2O/c11-9-8(12)4-7(5-14)13-10(9)6-2-1-3-6/h4-6H,1-3H2,(H2,12,13)
InChIKeyWKWNCAJJWXSFOB-UHFFFAOYSA-N
XLogP1.88
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.21
LogP ≤ 51.88
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 4-amino-6-cyclobutyl-5-fluoropyridine-2-carbaldehyde?
The IUPAC name of 4-amino-6-cyclobutyl-5-fluoropyridine-2-carbaldehyde (CID 86723389) is 4-amino-6-cyclobutyl-5-fluoropyridine-2-carbaldehyde.
What is the SMILES notation for 4-amino-6-cyclobutyl-5-fluoropyridine-2-carbaldehyde?
The canonical SMILES for 4-amino-6-cyclobutyl-5-fluoropyridine-2-carbaldehyde is Nc1cc(C=O)nc(C2CCC2)c1F.
What is the InChIKey of 4-amino-6-cyclobutyl-5-fluoropyridine-2-carbaldehyde?
The InChIKey is WKWNCAJJWXSFOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN2O/c11-9-8(12)4-7(5-14)13-10(9)6-2-1-3-6/h4-6H,1-3H2,(H2,12,13).
What are the key properties of 4-amino-6-cyclobutyl-5-fluoropyridine-2-carbaldehyde?
4-amino-6-cyclobutyl-5-fluoropyridine-2-carbaldehyde has a molecular weight of 194.21 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-cyclobutyl-5-fluoropyridine-2-carbaldehyde is sourced from PubChem (CID 86723389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).