(2-amino-4-bromo-6-fluorophenyl) formate

C7H5BrFNO2 — CID 58574258

IUPAC(2-amino-4-bromo-6-fluorophenyl) formate
SMILESNc1cc(Br)cc(F)c1OC=O
InChIInChI=1S/C7H5BrFNO2/c8-4-1-5(9)7(12-3-11)6(10)2-4/h1-3H,10H2
InChIKeyGXPQTTRASRRRDN-UHFFFAOYSA-N
MW234.02 g/mol
LogP1.71
Rot. Bonds2

About (2-amino-4-bromo-6-fluorophenyl) formate

(2-amino-4-bromo-6-fluorophenyl) formate (PubChem CID 58574258) has the molecular formula C7H5BrFNO2 and a molecular weight of 234.02 g/mol. Its IUPAC name is (2-amino-4-bromo-6-fluorophenyl) formate.

Molecular Properties

Compound Name(2-amino-4-bromo-6-fluorophenyl) formate
PubChem CID58574258
Molecular FormulaC7H5BrFNO2
Molecular Weight234.02 g/mol
Exact Mass232.95
IUPAC Name(2-amino-4-bromo-6-fluorophenyl) formate
SMILESNc1cc(Br)cc(F)c1OC=O
InChIInChI=1S/C7H5BrFNO2/c8-4-1-5(9)7(12-3-11)6(10)2-4/h1-3H,10H2
InChIKeyGXPQTTRASRRRDN-UHFFFAOYSA-N
XLogP1.71
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.02
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-amino-4-bromo-6-fluorophenyl) formate?
The IUPAC name of (2-amino-4-bromo-6-fluorophenyl) formate (CID 58574258) is (2-amino-4-bromo-6-fluorophenyl) formate.
What is the SMILES notation for (2-amino-4-bromo-6-fluorophenyl) formate?
The canonical SMILES for (2-amino-4-bromo-6-fluorophenyl) formate is Nc1cc(Br)cc(F)c1OC=O.
What is the InChIKey of (2-amino-4-bromo-6-fluorophenyl) formate?
The InChIKey is GXPQTTRASRRRDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrFNO2/c8-4-1-5(9)7(12-3-11)6(10)2-4/h1-3H,10H2.
What are the key properties of (2-amino-4-bromo-6-fluorophenyl) formate?
(2-amino-4-bromo-6-fluorophenyl) formate has a molecular weight of 234.02 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-4-bromo-6-fluorophenyl) formate is sourced from PubChem (CID 58574258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).