1-(2-amino-3-pyridinyl)-3-(2,2-difluoroethoxy)propan-1-one

C10H12F2N2O2 — CID 103147035

IUPAC1-(2-amino-3-pyridinyl)-3-(2,2-difluoroethoxy)propan-1-one
SMILESNc1ncccc1C(=O)CCOCC(F)F
InChIInChI=1S/C10H12F2N2O2/c11-9(12)6-16-5-3-8(15)7-2-1-4-14-10(7)13/h1-2,4,9H,3,5-6H2,(H2,13,14)
InChIKeyPHCBCLJZKLHTBF-UHFFFAOYSA-N
MW230.21 g/mol
LogP1.52
Rot. Bonds6

About 1-(2-amino-3-pyridinyl)-3-(2,2-difluoroethoxy)propan-1-one

1-(2-amino-3-pyridinyl)-3-(2,2-difluoroethoxy)propan-1-one (PubChem CID 103147035) has the molecular formula C10H12F2N2O2 and a molecular weight of 230.21 g/mol. Its IUPAC name is 1-(2-amino-3-pyridinyl)-3-(2,2-difluoroethoxy)propan-1-one.

Molecular Properties

Compound Name1-(2-amino-3-pyridinyl)-3-(2,2-difluoroethoxy)propan-1-one
PubChem CID103147035
Molecular FormulaC10H12F2N2O2
Molecular Weight230.21 g/mol
Exact Mass230.09
IUPAC Name1-(2-amino-3-pyridinyl)-3-(2,2-difluoroethoxy)propan-1-one
SMILESNc1ncccc1C(=O)CCOCC(F)F
InChIInChI=1S/C10H12F2N2O2/c11-9(12)6-16-5-3-8(15)7-2-1-4-14-10(7)13/h1-2,4,9H,3,5-6H2,(H2,13,14)
InChIKeyPHCBCLJZKLHTBF-UHFFFAOYSA-N
XLogP1.52
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.21
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(2-amino-3-pyridinyl)-3-(2,2-difluoroethoxy)propan-1-one 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 1-(2-amino-3-pyridinyl)-3-(2,2-difluoroethoxy)propan-1-one?
The IUPAC name of 1-(2-amino-3-pyridinyl)-3-(2,2-difluoroethoxy)propan-1-one (CID 103147035) is 1-(2-amino-3-pyridinyl)-3-(2,2-difluoroethoxy)propan-1-one.
What is the SMILES notation for 1-(2-amino-3-pyridinyl)-3-(2,2-difluoroethoxy)propan-1-one?
The canonical SMILES for 1-(2-amino-3-pyridinyl)-3-(2,2-difluoroethoxy)propan-1-one is Nc1ncccc1C(=O)CCOCC(F)F.
What is the InChIKey of 1-(2-amino-3-pyridinyl)-3-(2,2-difluoroethoxy)propan-1-one?
The InChIKey is PHCBCLJZKLHTBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2N2O2/c11-9(12)6-16-5-3-8(15)7-2-1-4-14-10(7)13/h1-2,4,9H,3,5-6H2,(H2,13,14).
What are the key properties of 1-(2-amino-3-pyridinyl)-3-(2,2-difluoroethoxy)propan-1-one?
1-(2-amino-3-pyridinyl)-3-(2,2-difluoroethoxy)propan-1-one has a molecular weight of 230.21 g/mol, XLogP of 1.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-3-pyridinyl)-3-(2,2-difluoroethoxy)propan-1-one is sourced from PubChem (CID 103147035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).