5-chloro-3-[(E)-indazol-6-ylidenemethyl]-1H-indol-2-ol

C16H10ClN3O — CID 135988925

IUPAC5-chloro-3-[(E)-indazol-6-ylidenemethyl]-1H-indol-2-ol
SMILESOc1[nH]c2ccc(Cl)cc2c1/C=c1\ccc2c(c1)N=NC=2
InChIInChI=1S/C16H10ClN3O/c17-11-3-4-14-12(7-11)13(16(21)19-14)5-9-1-2-10-8-18-20-15(10)6-9/h1-8,19,21H/b9-5+
InChIKeyIWOFLEHSSCWSJJ-WEVVVXLNSA-N
MW295.73 g/mol
LogP3.19
Rot. Bonds1

About 5-chloro-3-[(E)-indazol-6-ylidenemethyl]-1H-indol-2-ol

5-chloro-3-[(E)-indazol-6-ylidenemethyl]-1H-indol-2-ol (PubChem CID 135988925) has the molecular formula C16H10ClN3O and a molecular weight of 295.73 g/mol. Its IUPAC name is 5-chloro-3-[(E)-indazol-6-ylidenemethyl]-1H-indol-2-ol.

Molecular Properties

Compound Name5-chloro-3-[(E)-indazol-6-ylidenemethyl]-1H-indol-2-ol
PubChem CID135988925
Molecular FormulaC16H10ClN3O
Molecular Weight295.73 g/mol
Exact Mass295.05
IUPAC Name5-chloro-3-[(E)-indazol-6-ylidenemethyl]-1H-indol-2-ol
SMILESOc1[nH]c2ccc(Cl)cc2c1/C=c1\ccc2c(c1)N=NC=2
InChIInChI=1S/C16H10ClN3O/c17-11-3-4-14-12(7-11)13(16(21)19-14)5-9-1-2-10-8-18-20-15(10)6-9/h1-8,19,21H/b9-5+
InChIKeyIWOFLEHSSCWSJJ-WEVVVXLNSA-N
XLogP3.19
TPSA60.74 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.73
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-[(E)-indazol-6-ylidenemethyl]-1H-indol-2-ol?
The IUPAC name of 5-chloro-3-[(E)-indazol-6-ylidenemethyl]-1H-indol-2-ol (CID 135988925) is 5-chloro-3-[(E)-indazol-6-ylidenemethyl]-1H-indol-2-ol.
What is the SMILES notation for 5-chloro-3-[(E)-indazol-6-ylidenemethyl]-1H-indol-2-ol?
The canonical SMILES for 5-chloro-3-[(E)-indazol-6-ylidenemethyl]-1H-indol-2-ol is Oc1[nH]c2ccc(Cl)cc2c1/C=c1\ccc2c(c1)N=NC=2.
What is the InChIKey of 5-chloro-3-[(E)-indazol-6-ylidenemethyl]-1H-indol-2-ol?
The InChIKey is IWOFLEHSSCWSJJ-WEVVVXLNSA-N. The full InChI is InChI=1S/C16H10ClN3O/c17-11-3-4-14-12(7-11)13(16(21)19-14)5-9-1-2-10-8-18-20-15(10)6-9/h1-8,19,21H/b9-5+.
What are the key properties of 5-chloro-3-[(E)-indazol-6-ylidenemethyl]-1H-indol-2-ol?
5-chloro-3-[(E)-indazol-6-ylidenemethyl]-1H-indol-2-ol has a molecular weight of 295.73 g/mol, XLogP of 3.19, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-[(E)-indazol-6-ylidenemethyl]-1H-indol-2-ol is sourced from PubChem (CID 135988925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).