1-(2,6-difluoro-3-pyridinyl)propane-1,2,3-triol

C8H9F2NO3 — CID 170817617

IUPAC1-(2,6-difluoro-3-pyridinyl)propane-1,2,3-triol
SMILESOCC(O)C(O)c1ccc(F)nc1F
InChIInChI=1S/C8H9F2NO3/c9-6-2-1-4(8(10)11-6)7(14)5(13)3-12/h1-2,5,7,12-14H,3H2
InChIKeyTUJVBXXFIIVMMH-UHFFFAOYSA-N
MW205.16 g/mol
LogP-0.25
Rot. Bonds3

About 1-(2,6-difluoro-3-pyridinyl)propane-1,2,3-triol

1-(2,6-difluoro-3-pyridinyl)propane-1,2,3-triol (PubChem CID 170817617) has the molecular formula C8H9F2NO3 and a molecular weight of 205.16 g/mol. Its IUPAC name is 1-(2,6-difluoro-3-pyridinyl)propane-1,2,3-triol.

Molecular Properties

Compound Name1-(2,6-difluoro-3-pyridinyl)propane-1,2,3-triol
PubChem CID170817617
Molecular FormulaC8H9F2NO3
Molecular Weight205.16 g/mol
Exact Mass205.06
IUPAC Name1-(2,6-difluoro-3-pyridinyl)propane-1,2,3-triol
SMILESOCC(O)C(O)c1ccc(F)nc1F
InChIInChI=1S/C8H9F2NO3/c9-6-2-1-4(8(10)11-6)7(14)5(13)3-12/h1-2,5,7,12-14H,3H2
InChIKeyTUJVBXXFIIVMMH-UHFFFAOYSA-N
XLogP-0.25
TPSA73.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.16
LogP ≤ 5-0.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2,6-difluoro-3-pyridinyl)butane-1,2,4-triol
CID 171872056
4-(2,6-difluoro-3-pyridinyl)-3,4-dihydroxybutanamide
CID 171898930
2-amino-2-(2,6-difluoro-3-pyridinyl)ethanol
CID 55294647
1-(4-chloro-2-fluorophenyl)propane-1,2,3-triol
CID 170817442
(1S)-1-(2,6-difluoro-3-pyridinyl)propan-1-amine
CID 55292186
1-[2-(aminomethyl)-4-fluorophenyl]propane-1,2,3-triol
CID 170817867
1-(5-chloro-2-fluoro-3-pyridinyl)propane-1,2,3-triol
CID 170817616
1-(2-fluoro-4-methoxyphenyl)propane-1,2,3-triol
CID 170817736
9H-fluoren-9-ylmethyl N-[4-(2,6-difluoro-3-pyridinyl)-3,4-dihydroxybutyl]carbamate
CID 171886389
1-(2-chloro-5-fluorophenyl)propane-1,2,3-triol
CID 170817435
1-(4-ethoxy-2-fluorophenyl)propane-1,2,3-triol
CID 170818159
1-(3-methyl-4-pyridinyl)propane-1,2,3-triol
CID 170817371

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluoro-3-pyridinyl)propane-1,2,3-triol?
The IUPAC name of 1-(2,6-difluoro-3-pyridinyl)propane-1,2,3-triol (CID 170817617) is 1-(2,6-difluoro-3-pyridinyl)propane-1,2,3-triol.
What is the SMILES notation for 1-(2,6-difluoro-3-pyridinyl)propane-1,2,3-triol?
The canonical SMILES for 1-(2,6-difluoro-3-pyridinyl)propane-1,2,3-triol is OCC(O)C(O)c1ccc(F)nc1F.
What is the InChIKey of 1-(2,6-difluoro-3-pyridinyl)propane-1,2,3-triol?
The InChIKey is TUJVBXXFIIVMMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2NO3/c9-6-2-1-4(8(10)11-6)7(14)5(13)3-12/h1-2,5,7,12-14H,3H2.
What are the key properties of 1-(2,6-difluoro-3-pyridinyl)propane-1,2,3-triol?
1-(2,6-difluoro-3-pyridinyl)propane-1,2,3-triol has a molecular weight of 205.16 g/mol, XLogP of -0.25, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluoro-3-pyridinyl)propane-1,2,3-triol is sourced from PubChem (CID 170817617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).