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

C10H6ClFN2O3S — CID 107014602

IUPAC2-[(5-chlorothiadiazol-4-yl)methoxy]-4-fluorobenzoic acid
SMILESO=C(O)c1ccc(F)cc1OCc1nnsc1Cl
InChIInChI=1S/C10H6ClFN2O3S/c11-9-7(13-14-18-9)4-17-8-3-5(12)1-2-6(8)10(15)16/h1-3H,4H2,(H,15,16)
InChIKeyZXNLUKZBVJLSBQ-UHFFFAOYSA-N
MW288.69 g/mol
LogP2.61
Rot. Bonds4

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

2-[(5-chlorothiadiazol-4-yl)methoxy]-4-fluorobenzoic acid (PubChem CID 107014602) has the molecular formula C10H6ClFN2O3S and a molecular weight of 288.69 g/mol. Its IUPAC name is 2-[(5-chlorothiadiazol-4-yl)methoxy]-4-fluorobenzoic acid.

Molecular Properties

Compound Name2-[(5-chlorothiadiazol-4-yl)methoxy]-4-fluorobenzoic acid
PubChem CID107014602
Molecular FormulaC10H6ClFN2O3S
Molecular Weight288.69 g/mol
Exact Mass287.98
IUPAC Name2-[(5-chlorothiadiazol-4-yl)methoxy]-4-fluorobenzoic acid
SMILESO=C(O)c1ccc(F)cc1OCc1nnsc1Cl
InChIInChI=1S/C10H6ClFN2O3S/c11-9-7(13-14-18-9)4-17-8-3-5(12)1-2-6(8)10(15)16/h1-3H,4H2,(H,15,16)
InChIKeyZXNLUKZBVJLSBQ-UHFFFAOYSA-N
XLogP2.61
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.69
LogP ≤ 52.61
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]-4-fluorobenzoic acid?
The IUPAC name of 2-[(5-chlorothiadiazol-4-yl)methoxy]-4-fluorobenzoic acid (CID 107014602) is 2-[(5-chlorothiadiazol-4-yl)methoxy]-4-fluorobenzoic acid.
What is the SMILES notation for 2-[(5-chlorothiadiazol-4-yl)methoxy]-4-fluorobenzoic acid?
The canonical SMILES for 2-[(5-chlorothiadiazol-4-yl)methoxy]-4-fluorobenzoic acid is O=C(O)c1ccc(F)cc1OCc1nnsc1Cl.
What is the InChIKey of 2-[(5-chlorothiadiazol-4-yl)methoxy]-4-fluorobenzoic acid?
The InChIKey is ZXNLUKZBVJLSBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClFN2O3S/c11-9-7(13-14-18-9)4-17-8-3-5(12)1-2-6(8)10(15)16/h1-3H,4H2,(H,15,16).
What are the key properties of 2-[(5-chlorothiadiazol-4-yl)methoxy]-4-fluorobenzoic acid?
2-[(5-chlorothiadiazol-4-yl)methoxy]-4-fluorobenzoic acid has a molecular weight of 288.69 g/mol, XLogP of 2.61, 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]-4-fluorobenzoic acid is sourced from PubChem (CID 107014602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).