3-chloro-1-(6-fluoro-2-pyridinyl)propane-1,2-diol

C8H9ClFNO2 — CID 171861504

IUPAC3-chloro-1-(6-fluoro-2-pyridinyl)propane-1,2-diol
SMILESOC(CCl)C(O)c1cccc(F)n1
InChIInChI=1S/C8H9ClFNO2/c9-4-6(12)8(13)5-2-1-3-7(10)11-5/h1-3,6,8,12-13H,4H2
InChIKeyDPPJEOSAWNCSCD-UHFFFAOYSA-N
MW205.62 g/mol
LogP0.85
Rot. Bonds3

About 3-chloro-1-(6-fluoro-2-pyridinyl)propane-1,2-diol

3-chloro-1-(6-fluoro-2-pyridinyl)propane-1,2-diol (PubChem CID 171861504) has the molecular formula C8H9ClFNO2 and a molecular weight of 205.62 g/mol. Its IUPAC name is 3-chloro-1-(6-fluoro-2-pyridinyl)propane-1,2-diol.

Molecular Properties

Compound Name3-chloro-1-(6-fluoro-2-pyridinyl)propane-1,2-diol
PubChem CID171861504
Molecular FormulaC8H9ClFNO2
Molecular Weight205.62 g/mol
Exact Mass205.03
IUPAC Name3-chloro-1-(6-fluoro-2-pyridinyl)propane-1,2-diol
SMILESOC(CCl)C(O)c1cccc(F)n1
InChIInChI=1S/C8H9ClFNO2/c9-4-6(12)8(13)5-2-1-3-7(10)11-5/h1-3,6,8,12-13H,4H2
InChIKeyDPPJEOSAWNCSCD-UHFFFAOYSA-N
XLogP0.85
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.62
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-1-(6-fluoro-2-pyridinyl)butane-1,2-diol
CID 171891478
1-(6-chloro-2-pyridinyl)propane-1,2,3-triol
CID 170817344
(4-chlorophenyl)-(6-fluoro-2-pyridinyl)methanol
CID 146466291
3-chloro-1-(6-chloro-5-hydroxy-2-pyridinyl)propane-1,2-diol
CID 171863141
1-(3-bromo-2-fluorophenyl)-3-chloropropane-1,2-diol
CID 171863326
3-chloro-1-(3-chloro-2-fluorophenyl)propane-1,2-diol
CID 171861609
1-(5-amino-6-chloro-2-pyridinyl)-3-chloropropane-1,2-diol
CID 171861679
3-chloro-1-(3-fluoro-2-methylphenyl)propane-1,2-diol
CID 171861581
2-fluoro-6-(3-methylbutan-2-yl)pyridine
CID 164552856
1-[3-(3-chloro-1,2-dihydroxypropyl)-2-fluorophenyl]ethanone
CID 171862359
4-chloro-1-(6-hydrazinyl-2-pyridinyl)butane-1,2-diol
CID 171893610
(1R,2R)-3-chloro-1-phenylpropane-1,2-diol
CID 129404895

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-(6-fluoro-2-pyridinyl)propane-1,2-diol?
The IUPAC name of 3-chloro-1-(6-fluoro-2-pyridinyl)propane-1,2-diol (CID 171861504) is 3-chloro-1-(6-fluoro-2-pyridinyl)propane-1,2-diol.
What is the SMILES notation for 3-chloro-1-(6-fluoro-2-pyridinyl)propane-1,2-diol?
The canonical SMILES for 3-chloro-1-(6-fluoro-2-pyridinyl)propane-1,2-diol is OC(CCl)C(O)c1cccc(F)n1.
What is the InChIKey of 3-chloro-1-(6-fluoro-2-pyridinyl)propane-1,2-diol?
The InChIKey is DPPJEOSAWNCSCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClFNO2/c9-4-6(12)8(13)5-2-1-3-7(10)11-5/h1-3,6,8,12-13H,4H2.
What are the key properties of 3-chloro-1-(6-fluoro-2-pyridinyl)propane-1,2-diol?
3-chloro-1-(6-fluoro-2-pyridinyl)propane-1,2-diol has a molecular weight of 205.62 g/mol, XLogP of 0.85, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-(6-fluoro-2-pyridinyl)propane-1,2-diol is sourced from PubChem (CID 171861504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).