(3-fluoro-2-thiomorpholin-4-yl-4-pyridinyl)methanol

C10H13FN2OS — CID 105382896

IUPAC(3-fluoro-2-thiomorpholin-4-yl-4-pyridinyl)methanol
SMILESOCc1ccnc(N2CCSCC2)c1F
InChIInChI=1S/C10H13FN2OS/c11-9-8(7-14)1-2-12-10(9)13-3-5-15-6-4-13/h1-2,14H,3-7H2
InChIKeyOXDCHFLTXJUXAB-UHFFFAOYSA-N
MW228.29 g/mol
LogP1.27
Rot. Bonds2

About (3-fluoro-2-thiomorpholin-4-yl-4-pyridinyl)methanol

(3-fluoro-2-thiomorpholin-4-yl-4-pyridinyl)methanol (PubChem CID 105382896) has the molecular formula C10H13FN2OS and a molecular weight of 228.29 g/mol. Its IUPAC name is (3-fluoro-2-thiomorpholin-4-yl-4-pyridinyl)methanol.

Molecular Properties

Compound Name(3-fluoro-2-thiomorpholin-4-yl-4-pyridinyl)methanol
PubChem CID105382896
Molecular FormulaC10H13FN2OS
Molecular Weight228.29 g/mol
Exact Mass228.07
IUPAC Name(3-fluoro-2-thiomorpholin-4-yl-4-pyridinyl)methanol
SMILESOCc1ccnc(N2CCSCC2)c1F
InChIInChI=1S/C10H13FN2OS/c11-9-8(7-14)1-2-12-10(9)13-3-5-15-6-4-13/h1-2,14H,3-7H2
InChIKeyOXDCHFLTXJUXAB-UHFFFAOYSA-N
XLogP1.27
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-fluoro-2-(1,4-thiazepan-4-yl)-4-pyridinyl]methanol
CID 105382959
4-[4-(chloromethyl)-3-fluoro-2-pyridinyl]-1,4-thiazepane
CID 105383521
4-isoquinolin-1-ylthiomorpholine
CID 171328602
[3-fluoro-2-(3-propylpyrrolidin-1-yl)-4-pyridinyl]methanol
CID 105383174
[3-fluoro-2-(4-pyrimidin-2-ylpiperazin-1-yl)-4-pyridinyl]methanamine
CID 105388828
(3-fluoro-2-pyrazol-1-yl-4-pyridinyl)methanol
CID 105383202
[2-(2-cyclopentylpyrrolidin-1-yl)-3-fluoro-4-pyridinyl]methanol
CID 105383020
[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-fluoro-4-pyridinyl]methanol
CID 105382933
N-[[2-(7,7-dimethyl-1,4-thiazepan-4-yl)-3-fluoro-4-pyridinyl]methyl]ethanamine
CID 107459593
4-[3-(chloromethyl)-2-pyridinyl]thiomorpholine
CID 61254912
N-[(3-fluoro-2-morpholin-4-yl-4-pyridinyl)methyl]ethanamine
CID 105388738
[2-(2-ethylimidazol-1-yl)-3-fluoro-4-pyridinyl]methanol
CID 105383215

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-2-thiomorpholin-4-yl-4-pyridinyl)methanol?
The IUPAC name of (3-fluoro-2-thiomorpholin-4-yl-4-pyridinyl)methanol (CID 105382896) is (3-fluoro-2-thiomorpholin-4-yl-4-pyridinyl)methanol.
What is the SMILES notation for (3-fluoro-2-thiomorpholin-4-yl-4-pyridinyl)methanol?
The canonical SMILES for (3-fluoro-2-thiomorpholin-4-yl-4-pyridinyl)methanol is OCc1ccnc(N2CCSCC2)c1F.
What is the InChIKey of (3-fluoro-2-thiomorpholin-4-yl-4-pyridinyl)methanol?
The InChIKey is OXDCHFLTXJUXAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2OS/c11-9-8(7-14)1-2-12-10(9)13-3-5-15-6-4-13/h1-2,14H,3-7H2.
What are the key properties of (3-fluoro-2-thiomorpholin-4-yl-4-pyridinyl)methanol?
(3-fluoro-2-thiomorpholin-4-yl-4-pyridinyl)methanol has a molecular weight of 228.29 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-2-thiomorpholin-4-yl-4-pyridinyl)methanol is sourced from PubChem (CID 105382896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).