1-(5-chloro-2-fluoro-3-pyridinyl)propane-1,2,3-triol

C8H9ClFNO3 — CID 170817616

IUPAC1-(5-chloro-2-fluoro-3-pyridinyl)propane-1,2,3-triol
SMILESOCC(O)C(O)c1cc(Cl)cnc1F
InChIInChI=1S/C8H9ClFNO3/c9-4-1-5(8(10)11-2-4)7(14)6(13)3-12/h1-2,6-7,12-14H,3H2
InChIKeyLGSOHYDDDKQLAL-UHFFFAOYSA-N
MW221.61 g/mol
LogP0.26
Rot. Bonds3

About 1-(5-chloro-2-fluoro-3-pyridinyl)propane-1,2,3-triol

1-(5-chloro-2-fluoro-3-pyridinyl)propane-1,2,3-triol (PubChem CID 170817616) has the molecular formula C8H9ClFNO3 and a molecular weight of 221.61 g/mol. Its IUPAC name is 1-(5-chloro-2-fluoro-3-pyridinyl)propane-1,2,3-triol.

Molecular Properties

Compound Name1-(5-chloro-2-fluoro-3-pyridinyl)propane-1,2,3-triol
PubChem CID170817616
Molecular FormulaC8H9ClFNO3
Molecular Weight221.61 g/mol
Exact Mass221.03
IUPAC Name1-(5-chloro-2-fluoro-3-pyridinyl)propane-1,2,3-triol
SMILESOCC(O)C(O)c1cc(Cl)cnc1F
InChIInChI=1S/C8H9ClFNO3/c9-4-1-5(8(10)11-2-4)7(14)6(13)3-12/h1-2,6-7,12-14H,3H2
InChIKeyLGSOHYDDDKQLAL-UHFFFAOYSA-N
XLogP0.26
TPSA73.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.61
LogP ≤ 50.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(5-chloro-2-fluoro-3-pyridinyl)propane-1,2,3-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

1-(4-chloro-2-fluorophenyl)propane-1,2,3-triol
CID 170817442
1-(5-chloro-3-fluoro-2-hydroxyphenyl)propane-1,2,3-triol
CID 170817814
(1R)-1-(5-chloro-2-fluoro-3-pyridinyl)ethane-1,2-diamine
CID 55271248
(1S)-1-(5-chloro-2-fluoro-3-pyridinyl)ethanamine
CID 130907422
1-(2-chloro-5-fluorophenyl)propane-1,2,3-triol
CID 170817435
1-(2-amino-5-chloro-3-pyridinyl)-4-chlorobutane-1,2-diol
CID 171893439
1-(2,6-difluoro-3-pyridinyl)propane-1,2,3-triol
CID 170817617
1-(3-chloro-5-fluoro-2-hydroxyphenyl)propane-1,2,3-triol
CID 170817813
6-chloro-5-(1,2,3-trihydroxypropyl)pyridine-3-carbonitrile
CID 170817826
(2R)-2-amino-2-(2-amino-5-chloro-3-pyridinyl)ethanol
CID 130710939
1-(5-chloro-6-fluoro-3-pyridinyl)butane-1,2,4-triol
CID 171872046
3-(5-chloro-2-fluoro-3-pyridinyl)prop-2-en-1-ol
CID 169453090

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-fluoro-3-pyridinyl)propane-1,2,3-triol?
The IUPAC name of 1-(5-chloro-2-fluoro-3-pyridinyl)propane-1,2,3-triol (CID 170817616) is 1-(5-chloro-2-fluoro-3-pyridinyl)propane-1,2,3-triol.
What is the SMILES notation for 1-(5-chloro-2-fluoro-3-pyridinyl)propane-1,2,3-triol?
The canonical SMILES for 1-(5-chloro-2-fluoro-3-pyridinyl)propane-1,2,3-triol is OCC(O)C(O)c1cc(Cl)cnc1F.
What is the InChIKey of 1-(5-chloro-2-fluoro-3-pyridinyl)propane-1,2,3-triol?
The InChIKey is LGSOHYDDDKQLAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClFNO3/c9-4-1-5(8(10)11-2-4)7(14)6(13)3-12/h1-2,6-7,12-14H,3H2.
What are the key properties of 1-(5-chloro-2-fluoro-3-pyridinyl)propane-1,2,3-triol?
1-(5-chloro-2-fluoro-3-pyridinyl)propane-1,2,3-triol has a molecular weight of 221.61 g/mol, XLogP of 0.26, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-fluoro-3-pyridinyl)propane-1,2,3-triol is sourced from PubChem (CID 170817616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).