3-(3,5-difluoro-4-pyridinyl)propan-1-ol

C8H9F2NO — CID 164650630

IUPAC3-(3,5-difluoro-4-pyridinyl)propan-1-ol
SMILESOCCCc1c(F)cncc1F
InChIInChI=1S/C8H9F2NO/c9-7-4-11-5-8(10)6(7)2-1-3-12/h4-5,12H,1-3H2
InChIKeyHLPQXGFOUOBIGS-UHFFFAOYSA-N
MW173.16 g/mol
LogP1.28
Rot. Bonds3

About 3-(3,5-difluoro-4-pyridinyl)propan-1-ol

3-(3,5-difluoro-4-pyridinyl)propan-1-ol (PubChem CID 164650630) has the molecular formula C8H9F2NO and a molecular weight of 173.16 g/mol. Its IUPAC name is 3-(3,5-difluoro-4-pyridinyl)propan-1-ol.

Molecular Properties

Compound Name3-(3,5-difluoro-4-pyridinyl)propan-1-ol
PubChem CID164650630
Molecular FormulaC8H9F2NO
Molecular Weight173.16 g/mol
Exact Mass173.07
IUPAC Name3-(3,5-difluoro-4-pyridinyl)propan-1-ol
SMILESOCCCc1c(F)cncc1F
InChIInChI=1S/C8H9F2NO/c9-7-4-11-5-8(10)6(7)2-1-3-12/h4-5,12H,1-3H2
InChIKeyHLPQXGFOUOBIGS-UHFFFAOYSA-N
XLogP1.28
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.16
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(3,5-difluoro-4-pyridinyl)propan-1-ol 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 3-(3,5-difluoro-4-pyridinyl)propan-1-ol?
The IUPAC name of 3-(3,5-difluoro-4-pyridinyl)propan-1-ol (CID 164650630) is 3-(3,5-difluoro-4-pyridinyl)propan-1-ol.
What is the SMILES notation for 3-(3,5-difluoro-4-pyridinyl)propan-1-ol?
The canonical SMILES for 3-(3,5-difluoro-4-pyridinyl)propan-1-ol is OCCCc1c(F)cncc1F.
What is the InChIKey of 3-(3,5-difluoro-4-pyridinyl)propan-1-ol?
The InChIKey is HLPQXGFOUOBIGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2NO/c9-7-4-11-5-8(10)6(7)2-1-3-12/h4-5,12H,1-3H2.
What are the key properties of 3-(3,5-difluoro-4-pyridinyl)propan-1-ol?
3-(3,5-difluoro-4-pyridinyl)propan-1-ol has a molecular weight of 173.16 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-difluoro-4-pyridinyl)propan-1-ol is sourced from PubChem (CID 164650630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).