5-bromo-2-(bromomethoxy)-3-fluoroaniline;hydron

C7H7Br2FNO+ — CID 174779627

IUPAC5-bromo-2-(bromomethoxy)-3-fluoroaniline;hydron
SMILESNc1cc(Br)cc(F)c1OCBr.[H+]
InChIInChI=1S/C7H6Br2FNO/c8-3-12-7-5(10)1-4(9)2-6(7)11/h1-2H,3,11H2/p+1
InChIKeyKEIPMQILGHMQPB-UHFFFAOYSA-O
MW299.94 g/mol
LogP3.01
Rot. Bonds2

About 5-bromo-2-(bromomethoxy)-3-fluoroaniline;hydron

5-bromo-2-(bromomethoxy)-3-fluoroaniline;hydron (PubChem CID 174779627) has the molecular formula C7H7Br2FNO+ and a molecular weight of 299.94 g/mol. Its IUPAC name is 5-bromo-2-(bromomethoxy)-3-fluoroaniline;hydron.

Molecular Properties

Compound Name5-bromo-2-(bromomethoxy)-3-fluoroaniline;hydron
PubChem CID174779627
Molecular FormulaC7H7Br2FNO+
Molecular Weight299.94 g/mol
Exact Mass297.89
IUPAC Name5-bromo-2-(bromomethoxy)-3-fluoroaniline;hydron
SMILESNc1cc(Br)cc(F)c1OCBr.[H+]
InChIInChI=1S/C7H6Br2FNO/c8-3-12-7-5(10)1-4(9)2-6(7)11/h1-2H,3,11H2/p+1
InChIKeyKEIPMQILGHMQPB-UHFFFAOYSA-O
XLogP3.01
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.94
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(bromomethoxy)-3-fluoroaniline;hydron?
The IUPAC name of 5-bromo-2-(bromomethoxy)-3-fluoroaniline;hydron (CID 174779627) is 5-bromo-2-(bromomethoxy)-3-fluoroaniline;hydron.
What is the SMILES notation for 5-bromo-2-(bromomethoxy)-3-fluoroaniline;hydron?
The canonical SMILES for 5-bromo-2-(bromomethoxy)-3-fluoroaniline;hydron is Nc1cc(Br)cc(F)c1OCBr.[H+].
What is the InChIKey of 5-bromo-2-(bromomethoxy)-3-fluoroaniline;hydron?
The InChIKey is KEIPMQILGHMQPB-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H6Br2FNO/c8-3-12-7-5(10)1-4(9)2-6(7)11/h1-2H,3,11H2/p+1.
What are the key properties of 5-bromo-2-(bromomethoxy)-3-fluoroaniline;hydron?
5-bromo-2-(bromomethoxy)-3-fluoroaniline;hydron has a molecular weight of 299.94 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(bromomethoxy)-3-fluoroaniline;hydron is sourced from PubChem (CID 174779627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).