3-chloro-4-[(5-chlorothiadiazol-4-yl)methoxy]benzonitrile

C10H5Cl2N3OS — CID 29253287

IUPAC3-chloro-4-[(5-chlorothiadiazol-4-yl)methoxy]benzonitrile
SMILESN#Cc1ccc(OCc2nnsc2Cl)c(Cl)c1
InChIInChI=1S/C10H5Cl2N3OS/c11-7-3-6(4-13)1-2-9(7)16-5-8-10(12)17-15-14-8/h1-3H,5H2
InChIKeyDPEUBHNDRHLYIL-UHFFFAOYSA-N
MW286.14 g/mol
LogP3.30
Rot. Bonds3

About 3-chloro-4-[(5-chlorothiadiazol-4-yl)methoxy]benzonitrile

3-chloro-4-[(5-chlorothiadiazol-4-yl)methoxy]benzonitrile (PubChem CID 29253287) has the molecular formula C10H5Cl2N3OS and a molecular weight of 286.14 g/mol. Its IUPAC name is 3-chloro-4-[(5-chlorothiadiazol-4-yl)methoxy]benzonitrile.

Molecular Properties

Compound Name3-chloro-4-[(5-chlorothiadiazol-4-yl)methoxy]benzonitrile
PubChem CID29253287
Molecular FormulaC10H5Cl2N3OS
Molecular Weight286.14 g/mol
Exact Mass284.95
IUPAC Name3-chloro-4-[(5-chlorothiadiazol-4-yl)methoxy]benzonitrile
SMILESN#Cc1ccc(OCc2nnsc2Cl)c(Cl)c1
InChIInChI=1S/C10H5Cl2N3OS/c11-7-3-6(4-13)1-2-9(7)16-5-8-10(12)17-15-14-8/h1-3H,5H2
InChIKeyDPEUBHNDRHLYIL-UHFFFAOYSA-N
XLogP3.30
TPSA58.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.14
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[(5-chlorothiadiazol-4-yl)methoxy]benzonitrile?
The IUPAC name of 3-chloro-4-[(5-chlorothiadiazol-4-yl)methoxy]benzonitrile (CID 29253287) is 3-chloro-4-[(5-chlorothiadiazol-4-yl)methoxy]benzonitrile.
What is the SMILES notation for 3-chloro-4-[(5-chlorothiadiazol-4-yl)methoxy]benzonitrile?
The canonical SMILES for 3-chloro-4-[(5-chlorothiadiazol-4-yl)methoxy]benzonitrile is N#Cc1ccc(OCc2nnsc2Cl)c(Cl)c1.
What is the InChIKey of 3-chloro-4-[(5-chlorothiadiazol-4-yl)methoxy]benzonitrile?
The InChIKey is DPEUBHNDRHLYIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5Cl2N3OS/c11-7-3-6(4-13)1-2-9(7)16-5-8-10(12)17-15-14-8/h1-3H,5H2.
What are the key properties of 3-chloro-4-[(5-chlorothiadiazol-4-yl)methoxy]benzonitrile?
3-chloro-4-[(5-chlorothiadiazol-4-yl)methoxy]benzonitrile has a molecular weight of 286.14 g/mol, XLogP of 3.30, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[(5-chlorothiadiazol-4-yl)methoxy]benzonitrile is sourced from PubChem (CID 29253287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).