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

C16H10FN3O — CID 135988940

IUPAC5-fluoro-3-[(E)-indazol-6-ylidenemethyl]-1H-indol-2-ol
SMILESOc1[nH]c2ccc(F)cc2c1/C=c1\ccc2c(c1)N=NC=2
InChIInChI=1S/C16H10FN3O/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+
InChIKeyHHVVSDLFOQJMGS-WEVVVXLNSA-N
MW279.27 g/mol
LogP2.68
Rot. Bonds1

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

5-fluoro-3-[(E)-indazol-6-ylidenemethyl]-1H-indol-2-ol (PubChem CID 135988940) has the molecular formula C16H10FN3O and a molecular weight of 279.27 g/mol. Its IUPAC name is 5-fluoro-3-[(E)-indazol-6-ylidenemethyl]-1H-indol-2-ol.

Molecular Properties

Compound Name5-fluoro-3-[(E)-indazol-6-ylidenemethyl]-1H-indol-2-ol
PubChem CID135988940
Molecular FormulaC16H10FN3O
Molecular Weight279.27 g/mol
Exact Mass279.08
IUPAC Name5-fluoro-3-[(E)-indazol-6-ylidenemethyl]-1H-indol-2-ol
SMILESOc1[nH]c2ccc(F)cc2c1/C=c1\ccc2c(c1)N=NC=2
InChIInChI=1S/C16H10FN3O/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+
InChIKeyHHVVSDLFOQJMGS-WEVVVXLNSA-N
XLogP2.68
TPSA60.74 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.27
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Harmalol
CID 3565
2-methyl-5-HT
CID 1574
3H-Pyrido(3,4-b)indol-7-ol, 4,9-dihydro-1-methyl-, hydrochloride (1:1)
CID 145825
Indirubin deriv. 8h
CID 135434954
3-(Phenyl-hydrazono)-1,3-dihydro-indol-2-one
CID 272989
4-(2-phenyl-1H-indol-3-yl)phenol
CID 13896065
4-(3-phenyl-1H-indol-2-yl)phenol
CID 44405867
Indirubin E804
CID 135398511
Indirubin deriv. 9b
CID 135434955
Indirubin-3-methoxime
CID 136043836
Indirubin-3-acetoxime
CID 136043837
5-fluoro-3-[(3E)-3-(2-piperazin-1-ylethoxyimino)indol-2-yl]-1H-indol-2-ol
CID 135779796

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-[(E)-indazol-6-ylidenemethyl]-1H-indol-2-ol?
The IUPAC name of 5-fluoro-3-[(E)-indazol-6-ylidenemethyl]-1H-indol-2-ol (CID 135988940) is 5-fluoro-3-[(E)-indazol-6-ylidenemethyl]-1H-indol-2-ol.
What is the SMILES notation for 5-fluoro-3-[(E)-indazol-6-ylidenemethyl]-1H-indol-2-ol?
The canonical SMILES for 5-fluoro-3-[(E)-indazol-6-ylidenemethyl]-1H-indol-2-ol is Oc1[nH]c2ccc(F)cc2c1/C=c1\ccc2c(c1)N=NC=2.
What is the InChIKey of 5-fluoro-3-[(E)-indazol-6-ylidenemethyl]-1H-indol-2-ol?
The InChIKey is HHVVSDLFOQJMGS-WEVVVXLNSA-N. The full InChI is InChI=1S/C16H10FN3O/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-fluoro-3-[(E)-indazol-6-ylidenemethyl]-1H-indol-2-ol?
5-fluoro-3-[(E)-indazol-6-ylidenemethyl]-1H-indol-2-ol has a molecular weight of 279.27 g/mol, XLogP of 2.68, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-[(E)-indazol-6-ylidenemethyl]-1H-indol-2-ol is sourced from PubChem (CID 135988940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).