3-[(3-fluorophenyl)iminomethyl]-1H-indol-2-ol

C15H11FN2O — CID 4169575

IUPAC3-[(3-fluorophenyl)iminomethyl]-1H-indol-2-ol
SMILESOc1[nH]c2ccccc2c1/C=N/c1cccc(F)c1
InChIInChI=1S/C15H11FN2O/c16-10-4-3-5-11(8-10)17-9-13-12-6-1-2-7-14(12)18-15(13)19/h1-9,18-19H/b17-9+
InChIKeyLCXBQGOWTXFGNO-RQZCQDPDSA-N
MW254.26 g/mol
LogP3.76
Rot. Bonds2

About 3-[(3-fluorophenyl)iminomethyl]-1H-indol-2-ol

3-[(3-fluorophenyl)iminomethyl]-1H-indol-2-ol (PubChem CID 4169575) has the molecular formula C15H11FN2O and a molecular weight of 254.26 g/mol. Its IUPAC name is 3-[(3-fluorophenyl)iminomethyl]-1H-indol-2-ol.

Molecular Properties

Compound Name3-[(3-fluorophenyl)iminomethyl]-1H-indol-2-ol
PubChem CID4169575
Molecular FormulaC15H11FN2O
Molecular Weight254.26 g/mol
Exact Mass254.09
IUPAC Name3-[(3-fluorophenyl)iminomethyl]-1H-indol-2-ol
SMILESOc1[nH]c2ccccc2c1/C=N/c1cccc(F)c1
InChIInChI=1S/C15H11FN2O/c16-10-4-3-5-11(8-10)17-9-13-12-6-1-2-7-14(12)18-15(13)19/h1-9,18-19H/b17-9+
InChIKeyLCXBQGOWTXFGNO-RQZCQDPDSA-N
XLogP3.76
TPSA48.38 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.26
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 3-[(3-fluorophenyl)iminomethyl]-1H-indol-2-ol?
The IUPAC name of 3-[(3-fluorophenyl)iminomethyl]-1H-indol-2-ol (CID 4169575) is 3-[(3-fluorophenyl)iminomethyl]-1H-indol-2-ol.
What is the SMILES notation for 3-[(3-fluorophenyl)iminomethyl]-1H-indol-2-ol?
The canonical SMILES for 3-[(3-fluorophenyl)iminomethyl]-1H-indol-2-ol is Oc1[nH]c2ccccc2c1/C=N/c1cccc(F)c1.
What is the InChIKey of 3-[(3-fluorophenyl)iminomethyl]-1H-indol-2-ol?
The InChIKey is LCXBQGOWTXFGNO-RQZCQDPDSA-N. The full InChI is InChI=1S/C15H11FN2O/c16-10-4-3-5-11(8-10)17-9-13-12-6-1-2-7-14(12)18-15(13)19/h1-9,18-19H/b17-9+.
What are the key properties of 3-[(3-fluorophenyl)iminomethyl]-1H-indol-2-ol?
3-[(3-fluorophenyl)iminomethyl]-1H-indol-2-ol has a molecular weight of 254.26 g/mol, XLogP of 3.76, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-fluorophenyl)iminomethyl]-1H-indol-2-ol is sourced from PubChem (CID 4169575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).