1-(2-fluoro-4-pyridinyl)butane-1,2,4-triol

C9H12FNO3 — CID 171871784

IUPAC1-(2-fluoro-4-pyridinyl)butane-1,2,4-triol
SMILESOCCC(O)C(O)c1ccnc(F)c1
InChIInChI=1S/C9H12FNO3/c10-8-5-6(1-3-11-8)9(14)7(13)2-4-12/h1,3,5,7,9,12-14H,2,4H2
InChIKeyFECHQLORDGUPCM-UHFFFAOYSA-N
MW201.20 g/mol
LogP-0.00
Rot. Bonds4

About 1-(2-fluoro-4-pyridinyl)butane-1,2,4-triol

1-(2-fluoro-4-pyridinyl)butane-1,2,4-triol (PubChem CID 171871784) has the molecular formula C9H12FNO3 and a molecular weight of 201.20 g/mol. Its IUPAC name is 1-(2-fluoro-4-pyridinyl)butane-1,2,4-triol.

Molecular Properties

Compound Name1-(2-fluoro-4-pyridinyl)butane-1,2,4-triol
PubChem CID171871784
Molecular FormulaC9H12FNO3
Molecular Weight201.20 g/mol
Exact Mass201.08
IUPAC Name1-(2-fluoro-4-pyridinyl)butane-1,2,4-triol
SMILESOCCC(O)C(O)c1ccnc(F)c1
InChIInChI=1S/C9H12FNO3/c10-8-5-6(1-3-11-8)9(14)7(13)2-4-12/h1,3,5,7,9,12-14H,2,4H2
InChIKeyFECHQLORDGUPCM-UHFFFAOYSA-N
XLogP-0.00
TPSA73.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.20
LogP ≤ 5-0.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(2-fluoro-4-pyridinyl)butane-1,2,4-triol with MolForge

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

Launch Full Analysis

Related Compounds

N-[4-(2-fluoro-4-pyridinyl)-3,4-dihydroxybutyl]acetamide
CID 171882533
1-[4-fluoro-3-(hydroxymethyl)phenyl]butane-1,2,4-triol
CID 171872202
1-(4-fluorophenyl)butane-1,2,4-triol
CID 171871723
1-(4-chloro-3-fluorophenyl)butane-1,2,4-triol
CID 171871880
3-(2-fluoro-4-pyridinyl)-2,3-dihydroxypropanoic acid
CID 170823466
3-(2-fluoro-4-pyridinyl)-2,3-dihydroxypropanenitrile
CID 171869715
1-(3-amino-4-fluorophenyl)butane-1,2,4-triol
CID 171872014
(2S)-2-amino-2-(2-fluoro-4-pyridinyl)ethanol
CID 55262980
(2R)-2-amino-2-(2-fluoro-4-pyridinyl)ethanol
CID 130829259
1-(2-fluoro-5-methyl-4-pyridinyl)butane-1,2,4-triol
CID 171873399
1-pyrimidin-2-ylbutane-1,2,4-triol
CID 171871708
1-(3,5-difluoro-4-hydroxyphenyl)butane-1,2,4-triol
CID 171872261

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-4-pyridinyl)butane-1,2,4-triol?
The IUPAC name of 1-(2-fluoro-4-pyridinyl)butane-1,2,4-triol (CID 171871784) is 1-(2-fluoro-4-pyridinyl)butane-1,2,4-triol.
What is the SMILES notation for 1-(2-fluoro-4-pyridinyl)butane-1,2,4-triol?
The canonical SMILES for 1-(2-fluoro-4-pyridinyl)butane-1,2,4-triol is OCCC(O)C(O)c1ccnc(F)c1.
What is the InChIKey of 1-(2-fluoro-4-pyridinyl)butane-1,2,4-triol?
The InChIKey is FECHQLORDGUPCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FNO3/c10-8-5-6(1-3-11-8)9(14)7(13)2-4-12/h1,3,5,7,9,12-14H,2,4H2.
What are the key properties of 1-(2-fluoro-4-pyridinyl)butane-1,2,4-triol?
1-(2-fluoro-4-pyridinyl)butane-1,2,4-triol has a molecular weight of 201.20 g/mol, XLogP of -0.00, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-4-pyridinyl)butane-1,2,4-triol is sourced from PubChem (CID 171871784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).