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

C14H9F3N2OS — CID 57075000

IUPAC2-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methyl]pyridin-3-ol
SMILESOc1cccnc1Cc1nc2cc(C(F)(F)F)ccc2s1
InChIInChI=1S/C14H9F3N2OS/c15-14(16,17)8-3-4-12-10(6-8)19-13(21-12)7-9-11(20)2-1-5-18-9/h1-6,20H,7H2
InChIKeyQWPNODPSZRRHDW-UHFFFAOYSA-N
MW310.30 g/mol
LogP4.01
Rot. Bonds2

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

2-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methyl]pyridin-3-ol (PubChem CID 57075000) has the molecular formula C14H9F3N2OS and a molecular weight of 310.30 g/mol. Its IUPAC name is 2-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methyl]pyridin-3-ol.

Molecular Properties

Compound Name2-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methyl]pyridin-3-ol
PubChem CID57075000
Molecular FormulaC14H9F3N2OS
Molecular Weight310.30 g/mol
Exact Mass310.04
IUPAC Name2-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methyl]pyridin-3-ol
SMILESOc1cccnc1Cc1nc2cc(C(F)(F)F)ccc2s1
InChIInChI=1S/C14H9F3N2OS/c15-14(16,17)8-3-4-12-10(6-8)19-13(21-12)7-9-11(20)2-1-5-18-9/h1-6,20H,7H2
InChIKeyQWPNODPSZRRHDW-UHFFFAOYSA-N
XLogP4.01
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.30
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methyl]pyridin-3-ol?
The IUPAC name of 2-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methyl]pyridin-3-ol (CID 57075000) is 2-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methyl]pyridin-3-ol.
What is the SMILES notation for 2-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methyl]pyridin-3-ol?
The canonical SMILES for 2-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methyl]pyridin-3-ol is Oc1cccnc1Cc1nc2cc(C(F)(F)F)ccc2s1.
What is the InChIKey of 2-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methyl]pyridin-3-ol?
The InChIKey is QWPNODPSZRRHDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3N2OS/c15-14(16,17)8-3-4-12-10(6-8)19-13(21-12)7-9-11(20)2-1-5-18-9/h1-6,20H,7H2.
What are the key properties of 2-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methyl]pyridin-3-ol?
2-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methyl]pyridin-3-ol has a molecular weight of 310.30 g/mol, XLogP of 4.01, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methyl]pyridin-3-ol is sourced from PubChem (CID 57075000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).