2-[(5-chlorothiadiazol-4-yl)methoxy]-6-fluorobenzonitrile

C10H5ClFN3OS — CID 43625665

IUPAC2-[(5-chlorothiadiazol-4-yl)methoxy]-6-fluorobenzonitrile
SMILESN#Cc1c(F)cccc1OCc1nnsc1Cl
InChIInChI=1S/C10H5ClFN3OS/c11-10-8(14-15-17-10)5-16-9-3-1-2-7(12)6(9)4-13/h1-3H,5H2
InChIKeyLNASDFUTVCBJTF-UHFFFAOYSA-N
MW269.69 g/mol
LogP2.78
Rot. Bonds3

About 2-[(5-chlorothiadiazol-4-yl)methoxy]-6-fluorobenzonitrile

2-[(5-chlorothiadiazol-4-yl)methoxy]-6-fluorobenzonitrile (PubChem CID 43625665) has the molecular formula C10H5ClFN3OS and a molecular weight of 269.69 g/mol. Its IUPAC name is 2-[(5-chlorothiadiazol-4-yl)methoxy]-6-fluorobenzonitrile.

Molecular Properties

Compound Name2-[(5-chlorothiadiazol-4-yl)methoxy]-6-fluorobenzonitrile
PubChem CID43625665
Molecular FormulaC10H5ClFN3OS
Molecular Weight269.69 g/mol
Exact Mass268.98
IUPAC Name2-[(5-chlorothiadiazol-4-yl)methoxy]-6-fluorobenzonitrile
SMILESN#Cc1c(F)cccc1OCc1nnsc1Cl
InChIInChI=1S/C10H5ClFN3OS/c11-10-8(14-15-17-10)5-16-9-3-1-2-7(12)6(9)4-13/h1-3H,5H2
InChIKeyLNASDFUTVCBJTF-UHFFFAOYSA-N
XLogP2.78
TPSA58.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.69
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-chlorothiadiazol-4-yl)methoxy]-6-fluorobenzonitrile?
The IUPAC name of 2-[(5-chlorothiadiazol-4-yl)methoxy]-6-fluorobenzonitrile (CID 43625665) is 2-[(5-chlorothiadiazol-4-yl)methoxy]-6-fluorobenzonitrile.
What is the SMILES notation for 2-[(5-chlorothiadiazol-4-yl)methoxy]-6-fluorobenzonitrile?
The canonical SMILES for 2-[(5-chlorothiadiazol-4-yl)methoxy]-6-fluorobenzonitrile is N#Cc1c(F)cccc1OCc1nnsc1Cl.
What is the InChIKey of 2-[(5-chlorothiadiazol-4-yl)methoxy]-6-fluorobenzonitrile?
The InChIKey is LNASDFUTVCBJTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5ClFN3OS/c11-10-8(14-15-17-10)5-16-9-3-1-2-7(12)6(9)4-13/h1-3H,5H2.
What are the key properties of 2-[(5-chlorothiadiazol-4-yl)methoxy]-6-fluorobenzonitrile?
2-[(5-chlorothiadiazol-4-yl)methoxy]-6-fluorobenzonitrile has a molecular weight of 269.69 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chlorothiadiazol-4-yl)methoxy]-6-fluorobenzonitrile is sourced from PubChem (CID 43625665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).