4-bromo-1-(6-fluoro-2-pyridinyl)butane-1,2-diol

C9H11BrFNO2 — CID 171891478

IUPAC4-bromo-1-(6-fluoro-2-pyridinyl)butane-1,2-diol
SMILESOC(CCBr)C(O)c1cccc(F)n1
InChIInChI=1S/C9H11BrFNO2/c10-5-4-7(13)9(14)6-2-1-3-8(11)12-6/h1-3,7,9,13-14H,4-5H2
InChIKeyOWDRBUZRJHVSJJ-UHFFFAOYSA-N
MW264.09 g/mol
LogP1.40
Rot. Bonds4

About 4-bromo-1-(6-fluoro-2-pyridinyl)butane-1,2-diol

4-bromo-1-(6-fluoro-2-pyridinyl)butane-1,2-diol (PubChem CID 171891478) has the molecular formula C9H11BrFNO2 and a molecular weight of 264.09 g/mol. Its IUPAC name is 4-bromo-1-(6-fluoro-2-pyridinyl)butane-1,2-diol.

Molecular Properties

Compound Name4-bromo-1-(6-fluoro-2-pyridinyl)butane-1,2-diol
PubChem CID171891478
Molecular FormulaC9H11BrFNO2
Molecular Weight264.09 g/mol
Exact Mass263.00
IUPAC Name4-bromo-1-(6-fluoro-2-pyridinyl)butane-1,2-diol
SMILESOC(CCBr)C(O)c1cccc(F)n1
InChIInChI=1S/C9H11BrFNO2/c10-5-4-7(13)9(14)6-2-1-3-8(11)12-6/h1-3,7,9,13-14H,4-5H2
InChIKeyOWDRBUZRJHVSJJ-UHFFFAOYSA-N
XLogP1.40
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.09
LogP ≤ 51.40
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

3-chloro-1-(6-fluoro-2-pyridinyl)propane-1,2-diol
CID 171861504
4-bromo-1-(2,6-difluorophenyl)butane-1,2-diol
CID 171891582
1-(3-amino-6-fluoro-2-pyridinyl)-4-bromobutane-1,2-diol
CID 171891657
ethyl 6-(4-bromo-1,2-dihydroxybutyl)pyridine-2-carboxylate
CID 171892688
2-fluoro-6-(3-methylbutan-2-yl)pyridine
CID 164552856
4-sulfanyl-1-[6-(trifluoromethyl)-2-pyridinyl]butane-1,2-diol
CID 171874500
4-bromo-1-(2-bromo-4-fluorophenyl)butane-1,2-diol
CID 171893090
4-bromo-1-(1H-indazol-7-yl)butane-1,2-diol
CID 171892168
4-bromo-1-isoquinolin-5-ylbutane-1,2-diol
CID 171892229
4-bromo-1-(4-fluoronaphthalen-1-yl)butane-1,2-diol
CID 171892735
6-(3-bromo-1,2-dihydroxypropyl)pyridine-2-carboxamide
CID 171859983
(4-chlorophenyl)-(6-fluoro-2-pyridinyl)methanol
CID 146466291

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-(6-fluoro-2-pyridinyl)butane-1,2-diol?
The IUPAC name of 4-bromo-1-(6-fluoro-2-pyridinyl)butane-1,2-diol (CID 171891478) is 4-bromo-1-(6-fluoro-2-pyridinyl)butane-1,2-diol.
What is the SMILES notation for 4-bromo-1-(6-fluoro-2-pyridinyl)butane-1,2-diol?
The canonical SMILES for 4-bromo-1-(6-fluoro-2-pyridinyl)butane-1,2-diol is OC(CCBr)C(O)c1cccc(F)n1.
What is the InChIKey of 4-bromo-1-(6-fluoro-2-pyridinyl)butane-1,2-diol?
The InChIKey is OWDRBUZRJHVSJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrFNO2/c10-5-4-7(13)9(14)6-2-1-3-8(11)12-6/h1-3,7,9,13-14H,4-5H2.
What are the key properties of 4-bromo-1-(6-fluoro-2-pyridinyl)butane-1,2-diol?
4-bromo-1-(6-fluoro-2-pyridinyl)butane-1,2-diol has a molecular weight of 264.09 g/mol, XLogP of 1.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-(6-fluoro-2-pyridinyl)butane-1,2-diol is sourced from PubChem (CID 171891478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).