1-(3-fluoro-4-pyridinyl)butane-1,2-diol

C9H12FNO2 — CID 103454633

IUPAC1-(3-fluoro-4-pyridinyl)butane-1,2-diol
SMILESCCC(O)C(O)c1ccncc1F
InChIInChI=1S/C9H12FNO2/c1-2-8(12)9(13)6-3-4-11-5-7(6)10/h3-5,8-9,12-13H,2H2,1H3
InChIKeyWDIOPFCNZDKOLB-UHFFFAOYSA-N
MW185.20 g/mol
LogP1.02
Rot. Bonds3

About 1-(3-fluoro-4-pyridinyl)butane-1,2-diol

1-(3-fluoro-4-pyridinyl)butane-1,2-diol (PubChem CID 103454633) has the molecular formula C9H12FNO2 and a molecular weight of 185.20 g/mol. Its IUPAC name is 1-(3-fluoro-4-pyridinyl)butane-1,2-diol.

Molecular Properties

Compound Name1-(3-fluoro-4-pyridinyl)butane-1,2-diol
PubChem CID103454633
Molecular FormulaC9H12FNO2
Molecular Weight185.20 g/mol
Exact Mass185.09
IUPAC Name1-(3-fluoro-4-pyridinyl)butane-1,2-diol
SMILESCCC(O)C(O)c1ccncc1F
InChIInChI=1S/C9H12FNO2/c1-2-8(12)9(13)6-3-4-11-5-7(6)10/h3-5,8-9,12-13H,2H2,1H3
InChIKeyWDIOPFCNZDKOLB-UHFFFAOYSA-N
XLogP1.02
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.20
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-fluoro-4-pyridinyl)-3,4-dihydroxybutanoic acid
CID 171877157
N-[3-(3-fluoro-4-pyridinyl)-2,3-dihydroxypropyl]acetamide
CID 170829540
2-ethoxy-1-(3-fluoro-4-pyridinyl)-3-methylbutan-1-ol
CID 116712381
1-cyclopropyl-2-(3-fluoro-4-pyridinyl)ethane-1,2-diol
CID 103456925
(3-fluoro-4-pyridinyl)-(2,3,4,5,6-pentafluorophenyl)methanol
CID 115833939
1-(3-methyl-4-pyridinyl)propane-1,2,3-triol
CID 170817371
4-amino-1-(3-methyl-4-pyridinyl)butane-1,2-diol
CID 171880754
1-(3-fluoro-4-pyridinyl)-2,2-dimethylbutan-1-amine
CID 105038344
3-bromo-1-(3-methyl-4-pyridinyl)propane-1,2-diol
CID 171859479
1-(3-fluoro-4-pyridinyl)-3-methoxypropan-1-ol
CID 104737985
[2-ethyl-1-(3-fluoro-4-pyridinyl)butyl]hydrazine
CID 105258507
1-(3-fluoro-4-pyridinyl)-2-methylsulfonylethanol
CID 115834015

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-pyridinyl)butane-1,2-diol?
The IUPAC name of 1-(3-fluoro-4-pyridinyl)butane-1,2-diol (CID 103454633) is 1-(3-fluoro-4-pyridinyl)butane-1,2-diol.
What is the SMILES notation for 1-(3-fluoro-4-pyridinyl)butane-1,2-diol?
The canonical SMILES for 1-(3-fluoro-4-pyridinyl)butane-1,2-diol is CCC(O)C(O)c1ccncc1F.
What is the InChIKey of 1-(3-fluoro-4-pyridinyl)butane-1,2-diol?
The InChIKey is WDIOPFCNZDKOLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FNO2/c1-2-8(12)9(13)6-3-4-11-5-7(6)10/h3-5,8-9,12-13H,2H2,1H3.
What are the key properties of 1-(3-fluoro-4-pyridinyl)butane-1,2-diol?
1-(3-fluoro-4-pyridinyl)butane-1,2-diol has a molecular weight of 185.20 g/mol, XLogP of 1.02, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-pyridinyl)butane-1,2-diol is sourced from PubChem (CID 103454633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).