2-[(5,7-difluoro-1,3-benzothiazol-2-yl)methyl]pyridin-3-ol

C13H8F2N2OS — CID 57010077

IUPAC2-[(5,7-difluoro-1,3-benzothiazol-2-yl)methyl]pyridin-3-ol
SMILESOc1cccnc1Cc1nc2cc(F)cc(F)c2s1
InChIInChI=1S/C13H8F2N2OS/c14-7-4-8(15)13-10(5-7)17-12(19-13)6-9-11(18)2-1-3-16-9/h1-5,18H,6H2
InChIKeySQKOIJLRUKPQHV-UHFFFAOYSA-N
MW278.28 g/mol
LogP3.27
Rot. Bonds2

About 2-[(5,7-difluoro-1,3-benzothiazol-2-yl)methyl]pyridin-3-ol

2-[(5,7-difluoro-1,3-benzothiazol-2-yl)methyl]pyridin-3-ol (PubChem CID 57010077) has the molecular formula C13H8F2N2OS and a molecular weight of 278.28 g/mol. Its IUPAC name is 2-[(5,7-difluoro-1,3-benzothiazol-2-yl)methyl]pyridin-3-ol.

Molecular Properties

Compound Name2-[(5,7-difluoro-1,3-benzothiazol-2-yl)methyl]pyridin-3-ol
PubChem CID57010077
Molecular FormulaC13H8F2N2OS
Molecular Weight278.28 g/mol
Exact Mass278.03
IUPAC Name2-[(5,7-difluoro-1,3-benzothiazol-2-yl)methyl]pyridin-3-ol
SMILESOc1cccnc1Cc1nc2cc(F)cc(F)c2s1
InChIInChI=1S/C13H8F2N2OS/c14-7-4-8(15)13-10(5-7)17-12(19-13)6-9-11(18)2-1-3-16-9/h1-5,18H,6H2
InChIKeySQKOIJLRUKPQHV-UHFFFAOYSA-N
XLogP3.27
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.28
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-Pyridyloxy)benzothiazole
CID 3015918
5-(5-Bromo-1,3-benzothiazol-2-yl)pyridin-3-ol
CID 55257552
Thieno[3,2-b]pyridin-3-ol
CID 22090624
2-[(5-Fluoro-1,3-benzothiazol-2-yl)methyl]pyridin-3-ol
CID 53827760
6-Butyl-2-[(5,7-difluoro-1,3-benzothiazol-2-yl)methyl]pyridin-3-ol
CID 57057683
2-[[5-(Trifluoromethyl)-1,3-benzothiazol-2-yl]methyl]pyridin-3-ol
CID 57075000
6-Butyl-2-[(5-fluoro-1,3-benzothiazol-2-yl)methyl]pyridin-3-ol
CID 57231828
[4-[5-(Trifluoromethyl)-1,3-benzothiazol-2-yl]-3-pyridinyl] hypochlorite
CID 67113585
2-(2-Fluoro-4-pyridinyl)-1,3-benzothiazol-6-ol
CID 136479260
2-(2-Fluoro-1-methylpyridin-1-ium-4-yl)-1,3-benzothiazol-6-ol
CID 137108150
2-(5-Fluoro-1,3-benzothiazol-2-yl)-1-pyridin-2-ylprop-2-en-1-ol
CID 139641684
2-[6-(6-Fluoro-3-pyridinyl)-5-methyl-3-pyridinyl]-1,3-benzothiazol-6-ol
CID 146253025

Frequently Asked Questions

What is the IUPAC name of 2-[(5,7-difluoro-1,3-benzothiazol-2-yl)methyl]pyridin-3-ol?
The IUPAC name of 2-[(5,7-difluoro-1,3-benzothiazol-2-yl)methyl]pyridin-3-ol (CID 57010077) is 2-[(5,7-difluoro-1,3-benzothiazol-2-yl)methyl]pyridin-3-ol.
What is the SMILES notation for 2-[(5,7-difluoro-1,3-benzothiazol-2-yl)methyl]pyridin-3-ol?
The canonical SMILES for 2-[(5,7-difluoro-1,3-benzothiazol-2-yl)methyl]pyridin-3-ol is Oc1cccnc1Cc1nc2cc(F)cc(F)c2s1.
What is the InChIKey of 2-[(5,7-difluoro-1,3-benzothiazol-2-yl)methyl]pyridin-3-ol?
The InChIKey is SQKOIJLRUKPQHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F2N2OS/c14-7-4-8(15)13-10(5-7)17-12(19-13)6-9-11(18)2-1-3-16-9/h1-5,18H,6H2.
What are the key properties of 2-[(5,7-difluoro-1,3-benzothiazol-2-yl)methyl]pyridin-3-ol?
2-[(5,7-difluoro-1,3-benzothiazol-2-yl)methyl]pyridin-3-ol has a molecular weight of 278.28 g/mol, XLogP of 3.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5,7-difluoro-1,3-benzothiazol-2-yl)methyl]pyridin-3-ol is sourced from PubChem (CID 57010077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).