4-chloro-2,1,3-benzoxadiazol-7-ol

C6H3ClN2O2 — CID 154108721

IUPAC4-chloro-2,1,3-benzoxadiazol-7-ol
SMILESOc1ccc(Cl)c2nonc12
InChIInChI=1S/C6H3ClN2O2/c7-3-1-2-4(10)6-5(3)8-11-9-6/h1-2,10H
InChIKeySMOHWBDUVQABHZ-UHFFFAOYSA-N
MW170.56 g/mol
LogP1.58
Rot. Bonds

About 4-chloro-2,1,3-benzoxadiazol-7-ol

4-chloro-2,1,3-benzoxadiazol-7-ol (PubChem CID 154108721) has the molecular formula C6H3ClN2O2 and a molecular weight of 170.56 g/mol. Its IUPAC name is 4-chloro-2,1,3-benzoxadiazol-7-ol.

Molecular Properties

Compound Name4-chloro-2,1,3-benzoxadiazol-7-ol
PubChem CID154108721
Molecular FormulaC6H3ClN2O2
Molecular Weight170.56 g/mol
Exact Mass169.99
IUPAC Name4-chloro-2,1,3-benzoxadiazol-7-ol
SMILESOc1ccc(Cl)c2nonc12
InChIInChI=1S/C6H3ClN2O2/c7-3-1-2-4(10)6-5(3)8-11-9-6/h1-2,10H
InChIKeySMOHWBDUVQABHZ-UHFFFAOYSA-N
XLogP1.58
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.56
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4,7-dichloro-2,1,3-benzoxadiazole
CID 55270538
4-chloro-7-nitro-2,1,3-benzoxadiazole
CID 159389274
sodium 4-chloro-2,1,3-benzoxadiazole-7-sulfinate
CID 165449892
4-chloro-N,N-dimethyl-2,1,3-benzoxadiazole-7-sulfonamide
CID 15388469
CID 6367063
CID 6367063
4-chloro-N-prop-2-enyl-2,1,3-benzoxadiazole-7-sulfinamide
CID 145477593
CID 172791001
CID 172791001
calcium;5-chloroquinolin-8-ol;hydride
CID 174353815
potassium;5-chloroquinolin-8-ol;hydride
CID 174478922
CID 67544547
CID 67544547
2-[2-[(4-chloro-2,1,3-benzoxadiazol-7-yl)amino]-2-oxoethyl]benzoic acid
CID 56762052
7-chloro-1,2-benzoxazol-4-ol
CID 136743881

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2,1,3-benzoxadiazol-7-ol?
The IUPAC name of 4-chloro-2,1,3-benzoxadiazol-7-ol (CID 154108721) is 4-chloro-2,1,3-benzoxadiazol-7-ol.
What is the SMILES notation for 4-chloro-2,1,3-benzoxadiazol-7-ol?
The canonical SMILES for 4-chloro-2,1,3-benzoxadiazol-7-ol is Oc1ccc(Cl)c2nonc12.
What is the InChIKey of 4-chloro-2,1,3-benzoxadiazol-7-ol?
The InChIKey is SMOHWBDUVQABHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3ClN2O2/c7-3-1-2-4(10)6-5(3)8-11-9-6/h1-2,10H.
What are the key properties of 4-chloro-2,1,3-benzoxadiazol-7-ol?
4-chloro-2,1,3-benzoxadiazol-7-ol has a molecular weight of 170.56 g/mol, XLogP of 1.58, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2,1,3-benzoxadiazol-7-ol is sourced from PubChem (CID 154108721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).