1-(2,6-difluoro-3-pyridinyl)butane-1,2,4-triol

C9H11F2NO3 — CID 171872056

IUPAC1-(2,6-difluoro-3-pyridinyl)butane-1,2,4-triol
SMILESOCCC(O)C(O)c1ccc(F)nc1F
InChIInChI=1S/C9H11F2NO3/c10-7-2-1-5(9(11)12-7)8(15)6(14)3-4-13/h1-2,6,8,13-15H,3-4H2
InChIKeyKCAMNQRQOHJBIG-UHFFFAOYSA-N
MW219.19 g/mol
LogP0.14
Rot. Bonds4

About 1-(2,6-difluoro-3-pyridinyl)butane-1,2,4-triol

1-(2,6-difluoro-3-pyridinyl)butane-1,2,4-triol (PubChem CID 171872056) has the molecular formula C9H11F2NO3 and a molecular weight of 219.19 g/mol. Its IUPAC name is 1-(2,6-difluoro-3-pyridinyl)butane-1,2,4-triol.

Molecular Properties

Compound Name1-(2,6-difluoro-3-pyridinyl)butane-1,2,4-triol
PubChem CID171872056
Molecular FormulaC9H11F2NO3
Molecular Weight219.19 g/mol
Exact Mass219.07
IUPAC Name1-(2,6-difluoro-3-pyridinyl)butane-1,2,4-triol
SMILESOCCC(O)C(O)c1ccc(F)nc1F
InChIInChI=1S/C9H11F2NO3/c10-7-2-1-5(9(11)12-7)8(15)6(14)3-4-13/h1-2,6,8,13-15H,3-4H2
InChIKeyKCAMNQRQOHJBIG-UHFFFAOYSA-N
XLogP0.14
TPSA73.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.19
LogP ≤ 50.14
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)propane-1,2,3-triol
CID 170817617
4-(2,6-difluoro-3-pyridinyl)-3,4-dihydroxybutanamide
CID 171898930
2-amino-2-(2,6-difluoro-3-pyridinyl)ethanol
CID 55294647
1-(3-chloro-2,4-difluorophenyl)butane-1,2,4-triol
CID 171872120
1-(4-fluoronaphthalen-1-yl)butane-1,2,4-triol
CID 171873026
1-(2-fluoro-5-methyl-4-pyridinyl)butane-1,2,4-triol
CID 171873399
1-(2,5-difluorophenyl)butane-1,2,4-triol
CID 171871871
9H-fluoren-9-ylmethyl N-[4-(2,6-difluoro-3-pyridinyl)-3,4-dihydroxybutyl]carbamate
CID 171886389
1-(4-fluorophenyl)butane-1,2,4-triol
CID 171871723
1-(2,6-dimethoxy-3-pyridinyl)butane-1,2,4-triol
CID 171872771
1-(6-methoxy-2-methyl-3-pyridinyl)butane-1,2,4-triol
CID 171872418
1-(2-fluoro-4-pyridinyl)butane-1,2,4-triol
CID 171871784

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluoro-3-pyridinyl)butane-1,2,4-triol?
The IUPAC name of 1-(2,6-difluoro-3-pyridinyl)butane-1,2,4-triol (CID 171872056) is 1-(2,6-difluoro-3-pyridinyl)butane-1,2,4-triol.
What is the SMILES notation for 1-(2,6-difluoro-3-pyridinyl)butane-1,2,4-triol?
The canonical SMILES for 1-(2,6-difluoro-3-pyridinyl)butane-1,2,4-triol is OCCC(O)C(O)c1ccc(F)nc1F.
What is the InChIKey of 1-(2,6-difluoro-3-pyridinyl)butane-1,2,4-triol?
The InChIKey is KCAMNQRQOHJBIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2NO3/c10-7-2-1-5(9(11)12-7)8(15)6(14)3-4-13/h1-2,6,8,13-15H,3-4H2.
What are the key properties of 1-(2,6-difluoro-3-pyridinyl)butane-1,2,4-triol?
1-(2,6-difluoro-3-pyridinyl)butane-1,2,4-triol has a molecular weight of 219.19 g/mol, XLogP of 0.14, 4 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)butane-1,2,4-triol is sourced from PubChem (CID 171872056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).