1-(2-amino-5-fluoro-3-pyridinyl)-4-chlorobutane-1,2-diol

C9H12ClFN2O2 — CID 171893440

IUPAC1-(2-amino-5-fluoro-3-pyridinyl)-4-chlorobutane-1,2-diol
SMILESNc1ncc(F)cc1C(O)C(O)CCCl
InChIInChI=1S/C9H12ClFN2O2/c10-2-1-7(14)8(15)6-3-5(11)4-13-9(6)12/h3-4,7-8,14-15H,1-2H2,(H2,12,13)
InChIKeyOJMWDIFFFMTJHS-UHFFFAOYSA-N
MW234.66 g/mol
LogP0.83
Rot. Bonds4

About 1-(2-amino-5-fluoro-3-pyridinyl)-4-chlorobutane-1,2-diol

1-(2-amino-5-fluoro-3-pyridinyl)-4-chlorobutane-1,2-diol (PubChem CID 171893440) has the molecular formula C9H12ClFN2O2 and a molecular weight of 234.66 g/mol. Its IUPAC name is 1-(2-amino-5-fluoro-3-pyridinyl)-4-chlorobutane-1,2-diol.

Molecular Properties

Compound Name1-(2-amino-5-fluoro-3-pyridinyl)-4-chlorobutane-1,2-diol
PubChem CID171893440
Molecular FormulaC9H12ClFN2O2
Molecular Weight234.66 g/mol
Exact Mass234.06
IUPAC Name1-(2-amino-5-fluoro-3-pyridinyl)-4-chlorobutane-1,2-diol
SMILESNc1ncc(F)cc1C(O)C(O)CCCl
InChIInChI=1S/C9H12ClFN2O2/c10-2-1-7(14)8(15)6-3-5(11)4-13-9(6)12/h3-4,7-8,14-15H,1-2H2,(H2,12,13)
InChIKeyOJMWDIFFFMTJHS-UHFFFAOYSA-N
XLogP0.83
TPSA79.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.66
LogP ≤ 50.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(2-amino-5-fluoro-3-pyridinyl)-4-chlorobutane-1,2-diol 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

1-(2-amino-5-chloro-3-pyridinyl)-4-chlorobutane-1,2-diol
CID 171893439
1-(2-amino-5-chloro-3-fluorophenyl)-4-chlorobutane-1,2-diol
CID 171893871
4-chloro-1-(3,5-difluorophenyl)butane-1,2-diol
CID 171893381
1-(2-bromo-4-fluorophenyl)-4-chlorobutane-1,2-diol
CID 171894881
1-(4-amino-2,5-dichlorophenyl)-4-chlorobutane-1,2-diol
CID 171893875
4-amino-1-(3-amino-5-fluoro-2-pyridinyl)butane-1,2-diol
CID 171880903
3-amino-1-(2-amino-5-bromo-3-pyridinyl)propane-1,2-diol
CID 170829105
1-(2-amino-4-hydroxyphenyl)-4-chlorobutane-1,2-diol
CID 171893574
2-(4-chloro-1,2-dihydroxybutyl)-5-fluorobenzaldehyde
CID 171893688
1-(2-amino-3,5-dimethylphenyl)-4-chlorobutane-1,2-diol
CID 171893848
1-(2-amino-5-methyl-3-pyridinyl)-4-chlorobutan-1-ol
CID 66046118
1-(6-amino-5-fluoro-3-pyridinyl)butane-1,2,4-triol
CID 171871936

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-5-fluoro-3-pyridinyl)-4-chlorobutane-1,2-diol?
The IUPAC name of 1-(2-amino-5-fluoro-3-pyridinyl)-4-chlorobutane-1,2-diol (CID 171893440) is 1-(2-amino-5-fluoro-3-pyridinyl)-4-chlorobutane-1,2-diol.
What is the SMILES notation for 1-(2-amino-5-fluoro-3-pyridinyl)-4-chlorobutane-1,2-diol?
The canonical SMILES for 1-(2-amino-5-fluoro-3-pyridinyl)-4-chlorobutane-1,2-diol is Nc1ncc(F)cc1C(O)C(O)CCCl.
What is the InChIKey of 1-(2-amino-5-fluoro-3-pyridinyl)-4-chlorobutane-1,2-diol?
The InChIKey is OJMWDIFFFMTJHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClFN2O2/c10-2-1-7(14)8(15)6-3-5(11)4-13-9(6)12/h3-4,7-8,14-15H,1-2H2,(H2,12,13).
What are the key properties of 1-(2-amino-5-fluoro-3-pyridinyl)-4-chlorobutane-1,2-diol?
1-(2-amino-5-fluoro-3-pyridinyl)-4-chlorobutane-1,2-diol has a molecular weight of 234.66 g/mol, XLogP of 0.83, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-5-fluoro-3-pyridinyl)-4-chlorobutane-1,2-diol is sourced from PubChem (CID 171893440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).