3-(2,1-benzothiazol-3-yloxy)pyridine-2-carboxylic acid

C13H8N2O3S — CID 66355102

IUPAC3-(2,1-benzothiazol-3-yloxy)pyridine-2-carboxylic acid
SMILESO=C(O)c1ncccc1Oc1snc2ccccc12
InChIInChI=1S/C13H8N2O3S/c16-12(17)11-10(6-3-7-14-11)18-13-8-4-1-2-5-9(8)15-19-13/h1-7H,(H,16,17)
InChIKeyLTVMUPFYBSHDKD-UHFFFAOYSA-N
MW272.29 g/mol
LogP3.18
Rot. Bonds3

About 3-(2,1-benzothiazol-3-yloxy)pyridine-2-carboxylic acid

3-(2,1-benzothiazol-3-yloxy)pyridine-2-carboxylic acid (PubChem CID 66355102) has the molecular formula C13H8N2O3S and a molecular weight of 272.29 g/mol. Its IUPAC name is 3-(2,1-benzothiazol-3-yloxy)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-(2,1-benzothiazol-3-yloxy)pyridine-2-carboxylic acid
PubChem CID66355102
Molecular FormulaC13H8N2O3S
Molecular Weight272.29 g/mol
Exact Mass272.03
IUPAC Name3-(2,1-benzothiazol-3-yloxy)pyridine-2-carboxylic acid
SMILESO=C(O)c1ncccc1Oc1snc2ccccc12
InChIInChI=1S/C13H8N2O3S/c16-12(17)11-10(6-3-7-14-11)18-13-8-4-1-2-5-9(8)15-19-13/h1-7H,(H,16,17)
InChIKeyLTVMUPFYBSHDKD-UHFFFAOYSA-N
XLogP3.18
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.29
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2,1-benzothiazol-3-yloxy)quinolin-8-amine
CID 116525566
3-(2-bromophenoxy)-2,1-benzothiazole
CID 66353392
4-(2,1-benzothiazol-3-yloxy)thiophene-2-carboxylic acid
CID 66436273
3-quinolin-5-yloxypyrazine-2-carboxylic acid
CID 103045923
3-(naphthalen-1-ylmethoxy)pyridine-2-carboxylic acid
CID 61380024
methyl 4-(2,1-benzothiazol-3-yloxy)benzoate
CID 66355321
3-[(4-methyl-1,3-thiazol-2-yl)oxy]pyridine-2-carboxylic acid
CID 61396203
3-cyanatopyridine-2-carboxylic acid
CID 130739739
3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]pyridine-2-carboxylic acid
CID 61396205
3-[(5,6-dimethyl-1,2,4-triazin-3-yl)oxy]pyridine-2-carboxylic acid
CID 114787467
3-(5-bromo-2-fluorophenoxy)pyridine-2-carboxylic acid
CID 114677043
(3-phenoxy-2-pyridinyl)-phenylmethanone
CID 173425503

Frequently Asked Questions

What is the IUPAC name of 3-(2,1-benzothiazol-3-yloxy)pyridine-2-carboxylic acid?
The IUPAC name of 3-(2,1-benzothiazol-3-yloxy)pyridine-2-carboxylic acid (CID 66355102) is 3-(2,1-benzothiazol-3-yloxy)pyridine-2-carboxylic acid.
What is the SMILES notation for 3-(2,1-benzothiazol-3-yloxy)pyridine-2-carboxylic acid?
The canonical SMILES for 3-(2,1-benzothiazol-3-yloxy)pyridine-2-carboxylic acid is O=C(O)c1ncccc1Oc1snc2ccccc12.
What is the InChIKey of 3-(2,1-benzothiazol-3-yloxy)pyridine-2-carboxylic acid?
The InChIKey is LTVMUPFYBSHDKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8N2O3S/c16-12(17)11-10(6-3-7-14-11)18-13-8-4-1-2-5-9(8)15-19-13/h1-7H,(H,16,17).
What are the key properties of 3-(2,1-benzothiazol-3-yloxy)pyridine-2-carboxylic acid?
3-(2,1-benzothiazol-3-yloxy)pyridine-2-carboxylic acid has a molecular weight of 272.29 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,1-benzothiazol-3-yloxy)pyridine-2-carboxylic acid is sourced from PubChem (CID 66355102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).