2-[(5-chlorothiadiazol-4-yl)methoxy]benzoic acid

C10H7ClN2O3S — CID 22500931

IUPAC2-[(5-chlorothiadiazol-4-yl)methoxy]benzoic acid
SMILESO=C(O)c1ccccc1OCc1nnsc1Cl
InChIInChI=1S/C10H7ClN2O3S/c11-9-7(12-13-17-9)5-16-8-4-2-1-3-6(8)10(14)15/h1-4H,5H2,(H,14,15)
InChIKeyPHOGXONXIUHQTJ-UHFFFAOYSA-N
MW270.70 g/mol
LogP2.47
Rot. Bonds4

About 2-[(5-chlorothiadiazol-4-yl)methoxy]benzoic acid

2-[(5-chlorothiadiazol-4-yl)methoxy]benzoic acid (PubChem CID 22500931) has the molecular formula C10H7ClN2O3S and a molecular weight of 270.70 g/mol. Its IUPAC name is 2-[(5-chlorothiadiazol-4-yl)methoxy]benzoic acid.

Molecular Properties

Compound Name2-[(5-chlorothiadiazol-4-yl)methoxy]benzoic acid
PubChem CID22500931
Molecular FormulaC10H7ClN2O3S
Molecular Weight270.70 g/mol
Exact Mass269.99
IUPAC Name2-[(5-chlorothiadiazol-4-yl)methoxy]benzoic acid
SMILESO=C(O)c1ccccc1OCc1nnsc1Cl
InChIInChI=1S/C10H7ClN2O3S/c11-9-7(12-13-17-9)5-16-8-4-2-1-3-6(8)10(14)15/h1-4H,5H2,(H,14,15)
InChIKeyPHOGXONXIUHQTJ-UHFFFAOYSA-N
XLogP2.47
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.70
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-chlorothiadiazol-4-yl)methoxy]benzoic acid?
The IUPAC name of 2-[(5-chlorothiadiazol-4-yl)methoxy]benzoic acid (CID 22500931) is 2-[(5-chlorothiadiazol-4-yl)methoxy]benzoic acid.
What is the SMILES notation for 2-[(5-chlorothiadiazol-4-yl)methoxy]benzoic acid?
The canonical SMILES for 2-[(5-chlorothiadiazol-4-yl)methoxy]benzoic acid is O=C(O)c1ccccc1OCc1nnsc1Cl.
What is the InChIKey of 2-[(5-chlorothiadiazol-4-yl)methoxy]benzoic acid?
The InChIKey is PHOGXONXIUHQTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN2O3S/c11-9-7(12-13-17-9)5-16-8-4-2-1-3-6(8)10(14)15/h1-4H,5H2,(H,14,15).
What are the key properties of 2-[(5-chlorothiadiazol-4-yl)methoxy]benzoic acid?
2-[(5-chlorothiadiazol-4-yl)methoxy]benzoic acid has a molecular weight of 270.70 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chlorothiadiazol-4-yl)methoxy]benzoic acid is sourced from PubChem (CID 22500931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).