1-(5-bromo-1H-indol-3-yl)-N-(4-fluoro-3-nitrophenyl)methanimine

C15H9BrFN3O2 — CID 2359779

IUPAC1-(5-bromo-1H-indol-3-yl)-N-(4-fluoro-3-nitrophenyl)methanimine
SMILESO=[N+]([O-])c1cc(/N=C/c2c[nH]c3ccc(Br)cc23)ccc1F
InChIInChI=1S/C15H9BrFN3O2/c16-10-1-4-14-12(5-10)9(8-19-14)7-18-11-2-3-13(17)15(6-11)20(21)22/h1-8,19H/b18-7+
InChIKeyIYPFDMVCPDMTOH-CNHKJKLMSA-N
MW362.16 g/mol
LogP4.73
Rot. Bonds3

About 1-(5-bromo-1H-indol-3-yl)-N-(4-fluoro-3-nitrophenyl)methanimine

1-(5-bromo-1H-indol-3-yl)-N-(4-fluoro-3-nitrophenyl)methanimine (PubChem CID 2359779) has the molecular formula C15H9BrFN3O2 and a molecular weight of 362.16 g/mol. Its IUPAC name is 1-(5-bromo-1H-indol-3-yl)-N-(4-fluoro-3-nitrophenyl)methanimine.

Molecular Properties

Compound Name1-(5-bromo-1H-indol-3-yl)-N-(4-fluoro-3-nitrophenyl)methanimine
PubChem CID2359779
Molecular FormulaC15H9BrFN3O2
Molecular Weight362.16 g/mol
Exact Mass360.99
IUPAC Name1-(5-bromo-1H-indol-3-yl)-N-(4-fluoro-3-nitrophenyl)methanimine
SMILESO=[N+]([O-])c1cc(/N=C/c2c[nH]c3ccc(Br)cc23)ccc1F
InChIInChI=1S/C15H9BrFN3O2/c16-10-1-4-14-12(5-10)9(8-19-14)7-18-11-2-3-13(17)15(6-11)20(21)22/h1-8,19H/b18-7+
InChIKeyIYPFDMVCPDMTOH-CNHKJKLMSA-N
XLogP4.73
TPSA71.29 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.16
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-chloro-2-[(4-fluoro-3-nitrophenyl)iminomethyl]phenol
CID 135595254
N-[(Z)-(5-bromo-1H-indol-3-yl)methylideneamino]-4-methyl-3-nitrobenzenesulfonamide
CID 135892483
2-[(Z)-(5-bromo-1H-indol-3-yl)methylideneamino]guanidine
CID 135460270
(E)-N-[(E)-(5-bromo-1H-indol-3-yl)methylideneamino]-1,1-diphenylmethanimine
CID 135676058
4-chloro-2-[(4-chloro-3-nitrophenyl)iminomethyl]phenol
CID 135595561
1-[(E)-(5-bromo-1H-indol-3-yl)methylideneamino]imidazolidine-2,4-dione
CID 135788219
4-chloro-2-[(3-chloro-4-fluorophenyl)iminomethyl]-6-nitrophenol
CID 135595288
N-(4-fluorophenyl)-1-(2-nitrophenyl)methanimine
CID 794265
2-[(4-bromophenyl)iminomethyl]-4-methyl-6-nitrophenol
CID 683751
4-chloro-2-[(4-fluorophenyl)iminomethyl]-6-nitrophenolate
CID 6921906
4-azido-1-(18F)fluoro-2-nitrobenzene
CID 10607486
N-(4-bromophenyl)-1-(6-nitro-1,3-benzodioxol-5-yl)methanimine
CID 684291

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-1H-indol-3-yl)-N-(4-fluoro-3-nitrophenyl)methanimine?
The IUPAC name of 1-(5-bromo-1H-indol-3-yl)-N-(4-fluoro-3-nitrophenyl)methanimine (CID 2359779) is 1-(5-bromo-1H-indol-3-yl)-N-(4-fluoro-3-nitrophenyl)methanimine.
What is the SMILES notation for 1-(5-bromo-1H-indol-3-yl)-N-(4-fluoro-3-nitrophenyl)methanimine?
The canonical SMILES for 1-(5-bromo-1H-indol-3-yl)-N-(4-fluoro-3-nitrophenyl)methanimine is O=[N+]([O-])c1cc(/N=C/c2c[nH]c3ccc(Br)cc23)ccc1F.
What is the InChIKey of 1-(5-bromo-1H-indol-3-yl)-N-(4-fluoro-3-nitrophenyl)methanimine?
The InChIKey is IYPFDMVCPDMTOH-CNHKJKLMSA-N. The full InChI is InChI=1S/C15H9BrFN3O2/c16-10-1-4-14-12(5-10)9(8-19-14)7-18-11-2-3-13(17)15(6-11)20(21)22/h1-8,19H/b18-7+.
What are the key properties of 1-(5-bromo-1H-indol-3-yl)-N-(4-fluoro-3-nitrophenyl)methanimine?
1-(5-bromo-1H-indol-3-yl)-N-(4-fluoro-3-nitrophenyl)methanimine has a molecular weight of 362.16 g/mol, XLogP of 4.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-1H-indol-3-yl)-N-(4-fluoro-3-nitrophenyl)methanimine is sourced from PubChem (CID 2359779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).