5-fluoro-3-(1H-indazol-6-yliminomethyl)-1H-indol-2-ol

C16H11FN4O — CID 135605446

IUPAC5-fluoro-3-(1H-indazol-6-yliminomethyl)-1H-indol-2-ol
SMILESOc1[nH]c2ccc(F)cc2c1/C=N/c1ccc2cn[nH]c2c1
InChIInChI=1S/C16H11FN4O/c17-10-2-4-14-12(5-10)13(16(22)20-14)8-18-11-3-1-9-7-19-21-15(9)6-11/h1-8,20,22H,(H,19,21)/b18-8+
InChIKeyZZUJHRVPXLYNQJ-QGMBQPNBSA-N
MW294.29 g/mol
LogP3.64
Rot. Bonds2

About 5-fluoro-3-(1H-indazol-6-yliminomethyl)-1H-indol-2-ol

5-fluoro-3-(1H-indazol-6-yliminomethyl)-1H-indol-2-ol (PubChem CID 135605446) has the molecular formula C16H11FN4O and a molecular weight of 294.29 g/mol. Its IUPAC name is 5-fluoro-3-(1H-indazol-6-yliminomethyl)-1H-indol-2-ol.

Molecular Properties

Compound Name5-fluoro-3-(1H-indazol-6-yliminomethyl)-1H-indol-2-ol
PubChem CID135605446
Molecular FormulaC16H11FN4O
Molecular Weight294.29 g/mol
Exact Mass294.09
IUPAC Name5-fluoro-3-(1H-indazol-6-yliminomethyl)-1H-indol-2-ol
SMILESOc1[nH]c2ccc(F)cc2c1/C=N/c1ccc2cn[nH]c2c1
InChIInChI=1S/C16H11FN4O/c17-10-2-4-14-12(5-10)13(16(22)20-14)8-18-11-3-1-9-7-19-21-15(9)6-11/h1-8,20,22H,(H,19,21)/b18-8+
InChIKeyZZUJHRVPXLYNQJ-QGMBQPNBSA-N
XLogP3.64
TPSA77.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.29
LogP ≤ 53.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-(1H-indazol-6-yliminomethyl)-1H-indol-2-ol?
The IUPAC name of 5-fluoro-3-(1H-indazol-6-yliminomethyl)-1H-indol-2-ol (CID 135605446) is 5-fluoro-3-(1H-indazol-6-yliminomethyl)-1H-indol-2-ol.
What is the SMILES notation for 5-fluoro-3-(1H-indazol-6-yliminomethyl)-1H-indol-2-ol?
The canonical SMILES for 5-fluoro-3-(1H-indazol-6-yliminomethyl)-1H-indol-2-ol is Oc1[nH]c2ccc(F)cc2c1/C=N/c1ccc2cn[nH]c2c1.
What is the InChIKey of 5-fluoro-3-(1H-indazol-6-yliminomethyl)-1H-indol-2-ol?
The InChIKey is ZZUJHRVPXLYNQJ-QGMBQPNBSA-N. The full InChI is InChI=1S/C16H11FN4O/c17-10-2-4-14-12(5-10)13(16(22)20-14)8-18-11-3-1-9-7-19-21-15(9)6-11/h1-8,20,22H,(H,19,21)/b18-8+.
What are the key properties of 5-fluoro-3-(1H-indazol-6-yliminomethyl)-1H-indol-2-ol?
5-fluoro-3-(1H-indazol-6-yliminomethyl)-1H-indol-2-ol has a molecular weight of 294.29 g/mol, XLogP of 3.64, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-(1H-indazol-6-yliminomethyl)-1H-indol-2-ol is sourced from PubChem (CID 135605446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).