2-chloro-3-(3,3-difluorocyclobutyl)oxypyridin-4-amine

C9H9ClF2N2O — CID 177233568

IUPAC2-chloro-3-(3,3-difluorocyclobutyl)oxypyridin-4-amine
SMILESNc1ccnc(Cl)c1OC1CC(F)(F)C1
InChIInChI=1S/C9H9ClF2N2O/c10-8-7(6(13)1-2-14-8)15-5-3-9(11,12)4-5/h1-2,5H,3-4H2,(H2,13,14)
InChIKeyHUECINHDNCHWRE-UHFFFAOYSA-N
MW234.63 g/mol
LogP2.49
Rot. Bonds2

About 2-chloro-3-(3,3-difluorocyclobutyl)oxypyridin-4-amine

2-chloro-3-(3,3-difluorocyclobutyl)oxypyridin-4-amine (PubChem CID 177233568) has the molecular formula C9H9ClF2N2O and a molecular weight of 234.63 g/mol. Its IUPAC name is 2-chloro-3-(3,3-difluorocyclobutyl)oxypyridin-4-amine.

Molecular Properties

Compound Name2-chloro-3-(3,3-difluorocyclobutyl)oxypyridin-4-amine
PubChem CID177233568
Molecular FormulaC9H9ClF2N2O
Molecular Weight234.63 g/mol
Exact Mass234.04
IUPAC Name2-chloro-3-(3,3-difluorocyclobutyl)oxypyridin-4-amine
SMILESNc1ccnc(Cl)c1OC1CC(F)(F)C1
InChIInChI=1S/C9H9ClF2N2O/c10-8-7(6(13)1-2-14-8)15-5-3-9(11,12)4-5/h1-2,5H,3-4H2,(H2,13,14)
InChIKeyHUECINHDNCHWRE-UHFFFAOYSA-N
XLogP2.49
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.63
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-chloro-3-(3,3-difluorocyclobutyl)oxypyridin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-(3,3-difluorocyclobutyl)oxypyridin-4-amine?
The IUPAC name of 2-chloro-3-(3,3-difluorocyclobutyl)oxypyridin-4-amine (CID 177233568) is 2-chloro-3-(3,3-difluorocyclobutyl)oxypyridin-4-amine.
What is the SMILES notation for 2-chloro-3-(3,3-difluorocyclobutyl)oxypyridin-4-amine?
The canonical SMILES for 2-chloro-3-(3,3-difluorocyclobutyl)oxypyridin-4-amine is Nc1ccnc(Cl)c1OC1CC(F)(F)C1.
What is the InChIKey of 2-chloro-3-(3,3-difluorocyclobutyl)oxypyridin-4-amine?
The InChIKey is HUECINHDNCHWRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClF2N2O/c10-8-7(6(13)1-2-14-8)15-5-3-9(11,12)4-5/h1-2,5H,3-4H2,(H2,13,14).
What are the key properties of 2-chloro-3-(3,3-difluorocyclobutyl)oxypyridin-4-amine?
2-chloro-3-(3,3-difluorocyclobutyl)oxypyridin-4-amine has a molecular weight of 234.63 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-(3,3-difluorocyclobutyl)oxypyridin-4-amine is sourced from PubChem (CID 177233568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).