(1,1-dioxothiolan-3-yl)-(5-fluoro-3-pyridinyl)methanol

C10H12FNO3S — CID 115336470

IUPAC(1,1-dioxothiolan-3-yl)-(5-fluoro-3-pyridinyl)methanol
SMILESO=S1(=O)CCC(C(O)c2cncc(F)c2)C1
InChIInChI=1S/C10H12FNO3S/c11-9-3-8(4-12-5-9)10(13)7-1-2-16(14,15)6-7/h3-5,7,10,13H,1-2,6H2
InChIKeyDIXQCKPXLVWBSK-UHFFFAOYSA-N
MW245.27 g/mol
LogP0.69
Rot. Bonds2

About (1,1-dioxothiolan-3-yl)-(5-fluoro-3-pyridinyl)methanol

(1,1-dioxothiolan-3-yl)-(5-fluoro-3-pyridinyl)methanol (PubChem CID 115336470) has the molecular formula C10H12FNO3S and a molecular weight of 245.27 g/mol. Its IUPAC name is (1,1-dioxothiolan-3-yl)-(5-fluoro-3-pyridinyl)methanol.

Molecular Properties

Compound Name(1,1-dioxothiolan-3-yl)-(5-fluoro-3-pyridinyl)methanol
PubChem CID115336470
Molecular FormulaC10H12FNO3S
Molecular Weight245.27 g/mol
Exact Mass245.05
IUPAC Name(1,1-dioxothiolan-3-yl)-(5-fluoro-3-pyridinyl)methanol
SMILESO=S1(=O)CCC(C(O)c2cncc(F)c2)C1
InChIInChI=1S/C10H12FNO3S/c11-9-3-8(4-12-5-9)10(13)7-1-2-16(14,15)6-7/h3-5,7,10,13H,1-2,6H2
InChIKeyDIXQCKPXLVWBSK-UHFFFAOYSA-N
XLogP0.69
TPSA67.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.27
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Pyridin-3-yl(thiophen-2-yl)methanol
CID 650499
(2-Fluoropyridin-3-yl)(2-thienyl)methanol
CID 12711113
1-(5-Fluoropyridin-3-yl)propan-1-ol
CID 61519890
2,2,2-Trifluoro-1-(6-methylsulfonyl-3-pyridinyl)ethanol
CID 68210657
[5-(2,3-Dihydrothiophen-5-yl)-3-(2-fluorophenyl)-2,3-dihydrothiophen-4-yl]-pyridin-3-ylmethanol
CID 70883200
[3-(2,4-Difluorophenyl)-5-(4-fluorophenyl)-2,3-dihydrothiophen-4-yl]-pyridin-3-ylmethanol
CID 70883247
[5-(3,5-Difluorophenyl)-3-(4-fluorophenyl)-2,3-dihydrothiophen-4-yl]-pyridin-3-ylmethanol
CID 70883298
[5-(2,4-Difluorophenyl)-3-(4-fluorophenyl)-2,3-dihydrothiophen-4-yl]-pyridin-3-ylmethanol
CID 70883299
[5-(2,4-Difluorophenyl)-3-(2-fluorophenyl)-2,3-dihydrothiophen-4-yl]-pyridin-3-ylmethanol
CID 70883304
[5-(2,3-Dihydrothiophen-5-yl)-3-(3-fluorophenyl)-2,3-dihydrothiophen-4-yl]-pyridin-3-ylmethanol
CID 70883307
[5-Tert-butyl-3-(2,4-difluorophenyl)-2,3-dihydrothiophen-4-yl]-pyridin-3-ylmethanol
CID 70883311
[5-(2,3-Dihydrothiophen-5-yl)-3-(4-fluorophenyl)-2,3-dihydrothiophen-4-yl]-pyridin-3-ylmethanol
CID 70883321

Frequently Asked Questions

What is the IUPAC name of (1,1-dioxothiolan-3-yl)-(5-fluoro-3-pyridinyl)methanol?
The IUPAC name of (1,1-dioxothiolan-3-yl)-(5-fluoro-3-pyridinyl)methanol (CID 115336470) is (1,1-dioxothiolan-3-yl)-(5-fluoro-3-pyridinyl)methanol.
What is the SMILES notation for (1,1-dioxothiolan-3-yl)-(5-fluoro-3-pyridinyl)methanol?
The canonical SMILES for (1,1-dioxothiolan-3-yl)-(5-fluoro-3-pyridinyl)methanol is O=S1(=O)CCC(C(O)c2cncc(F)c2)C1.
What is the InChIKey of (1,1-dioxothiolan-3-yl)-(5-fluoro-3-pyridinyl)methanol?
The InChIKey is DIXQCKPXLVWBSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO3S/c11-9-3-8(4-12-5-9)10(13)7-1-2-16(14,15)6-7/h3-5,7,10,13H,1-2,6H2.
What are the key properties of (1,1-dioxothiolan-3-yl)-(5-fluoro-3-pyridinyl)methanol?
(1,1-dioxothiolan-3-yl)-(5-fluoro-3-pyridinyl)methanol has a molecular weight of 245.27 g/mol, XLogP of 0.69, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1,1-dioxothiolan-3-yl)-(5-fluoro-3-pyridinyl)methanol is sourced from PubChem (CID 115336470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).