3-[(4-bromo-2-fluorophenyl)iminomethyl]-1H-indol-2-ol

C15H10BrFN2O — CID 4195029

IUPAC3-[(4-bromo-2-fluorophenyl)iminomethyl]-1H-indol-2-ol
SMILESOc1[nH]c2ccccc2c1/C=N/c1ccc(Br)cc1F
InChIInChI=1S/C15H10BrFN2O/c16-9-5-6-14(12(17)7-9)18-8-11-10-3-1-2-4-13(10)19-15(11)20/h1-8,19-20H/b18-8+
InChIKeyXIKIXMFWDXPZEN-QGMBQPNBSA-N
MW333.16 g/mol
LogP4.53
Rot. Bonds2

About 3-[(4-bromo-2-fluorophenyl)iminomethyl]-1H-indol-2-ol

3-[(4-bromo-2-fluorophenyl)iminomethyl]-1H-indol-2-ol (PubChem CID 4195029) has the molecular formula C15H10BrFN2O and a molecular weight of 333.16 g/mol. Its IUPAC name is 3-[(4-bromo-2-fluorophenyl)iminomethyl]-1H-indol-2-ol.

Molecular Properties

Compound Name3-[(4-bromo-2-fluorophenyl)iminomethyl]-1H-indol-2-ol
PubChem CID4195029
Molecular FormulaC15H10BrFN2O
Molecular Weight333.16 g/mol
Exact Mass332.00
IUPAC Name3-[(4-bromo-2-fluorophenyl)iminomethyl]-1H-indol-2-ol
SMILESOc1[nH]c2ccccc2c1/C=N/c1ccc(Br)cc1F
InChIInChI=1S/C15H10BrFN2O/c16-9-5-6-14(12(17)7-9)18-8-11-10-3-1-2-4-13(10)19-15(11)20/h1-8,19-20H/b18-8+
InChIKeyXIKIXMFWDXPZEN-QGMBQPNBSA-N
XLogP4.53
TPSA48.38 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.16
LogP ≤ 54.53
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-[(4-bromo-2-fluorophenyl)iminomethyl]-1H-indol-2-ol?
The IUPAC name of 3-[(4-bromo-2-fluorophenyl)iminomethyl]-1H-indol-2-ol (CID 4195029) is 3-[(4-bromo-2-fluorophenyl)iminomethyl]-1H-indol-2-ol.
What is the SMILES notation for 3-[(4-bromo-2-fluorophenyl)iminomethyl]-1H-indol-2-ol?
The canonical SMILES for 3-[(4-bromo-2-fluorophenyl)iminomethyl]-1H-indol-2-ol is Oc1[nH]c2ccccc2c1/C=N/c1ccc(Br)cc1F.
What is the InChIKey of 3-[(4-bromo-2-fluorophenyl)iminomethyl]-1H-indol-2-ol?
The InChIKey is XIKIXMFWDXPZEN-QGMBQPNBSA-N. The full InChI is InChI=1S/C15H10BrFN2O/c16-9-5-6-14(12(17)7-9)18-8-11-10-3-1-2-4-13(10)19-15(11)20/h1-8,19-20H/b18-8+.
What are the key properties of 3-[(4-bromo-2-fluorophenyl)iminomethyl]-1H-indol-2-ol?
3-[(4-bromo-2-fluorophenyl)iminomethyl]-1H-indol-2-ol has a molecular weight of 333.16 g/mol, XLogP of 4.53, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromo-2-fluorophenyl)iminomethyl]-1H-indol-2-ol is sourced from PubChem (CID 4195029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).