2-[(4-bromo-2-fluorophenyl)methylideneamino]oxyacetic acid

C9H7BrFNO3 — CID 77013172

IUPAC2-[(4-bromo-2-fluorophenyl)methylideneamino]oxyacetic acid
SMILESO=C(O)CON=Cc1ccc(Br)cc1F
InChIInChI=1S/C9H7BrFNO3/c10-7-2-1-6(8(11)3-7)4-12-15-5-9(13)14/h1-4H,5H2,(H,13,14)
InChIKeyDGTPDOQJQMAICN-UHFFFAOYSA-N
MW276.06 g/mol
LogP2.02
Rot. Bonds4

About 2-[(4-bromo-2-fluorophenyl)methylideneamino]oxyacetic acid

2-[(4-bromo-2-fluorophenyl)methylideneamino]oxyacetic acid (PubChem CID 77013172) has the molecular formula C9H7BrFNO3 and a molecular weight of 276.06 g/mol. Its IUPAC name is 2-[(4-bromo-2-fluorophenyl)methylideneamino]oxyacetic acid.

Molecular Properties

Compound Name2-[(4-bromo-2-fluorophenyl)methylideneamino]oxyacetic acid
PubChem CID77013172
Molecular FormulaC9H7BrFNO3
Molecular Weight276.06 g/mol
Exact Mass274.96
IUPAC Name2-[(4-bromo-2-fluorophenyl)methylideneamino]oxyacetic acid
SMILESO=C(O)CON=Cc1ccc(Br)cc1F
InChIInChI=1S/C9H7BrFNO3/c10-7-2-1-6(8(11)3-7)4-12-15-5-9(13)14/h1-4H,5H2,(H,13,14)
InChIKeyDGTPDOQJQMAICN-UHFFFAOYSA-N
XLogP2.02
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.06
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-bromophenyl)methylideneamino]oxyacetic acid
CID 2336636
N-(3-bromophenyl)-2-[(Z)-(2-fluorophenyl)methylideneamino]oxyacetamide
CID 7703146
2-[(E)-(3-chloro-4-fluorophenyl)methylideneamino]oxyacetic acid
CID 81159898
2-[3-[(E)-3-(4-bromo-2-fluorophenyl)prop-2-enoyl]phenoxy]acetic acid
CID 9448850
2-(naphthalen-1-ylmethylideneamino)oxyacetic acid
CID 78953890
2-[(E)-[2,3-bis[(3,4-difluorophenyl)methoxy]phenyl]methylideneamino]oxyacetic acid
CID 57453392
2-(quinolin-4-ylmethylideneamino)oxyacetic acid
CID 77013302
2-[(E)-(2-cyanophenyl)methylideneamino]oxyacetic acid
CID 107936789
4-[(2Z)-2-[(4-bromo-2-fluorophenyl)methylidene]hydrazinyl]benzoate
CID 9012798
(E)-4-(4-bromo-2-fluorophenyl)but-3-en-2-ol
CID 103971130
methyl (E)-3-(4-bromo-2-fluorophenyl)prop-2-enoate
CID 18989439
2-[(4-bromo-2-fluorophenyl)methylideneamino]-1-hydroxyguanidine
CID 91185838

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromo-2-fluorophenyl)methylideneamino]oxyacetic acid?
The IUPAC name of 2-[(4-bromo-2-fluorophenyl)methylideneamino]oxyacetic acid (CID 77013172) is 2-[(4-bromo-2-fluorophenyl)methylideneamino]oxyacetic acid.
What is the SMILES notation for 2-[(4-bromo-2-fluorophenyl)methylideneamino]oxyacetic acid?
The canonical SMILES for 2-[(4-bromo-2-fluorophenyl)methylideneamino]oxyacetic acid is O=C(O)CON=Cc1ccc(Br)cc1F.
What is the InChIKey of 2-[(4-bromo-2-fluorophenyl)methylideneamino]oxyacetic acid?
The InChIKey is DGTPDOQJQMAICN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrFNO3/c10-7-2-1-6(8(11)3-7)4-12-15-5-9(13)14/h1-4H,5H2,(H,13,14).
What are the key properties of 2-[(4-bromo-2-fluorophenyl)methylideneamino]oxyacetic acid?
2-[(4-bromo-2-fluorophenyl)methylideneamino]oxyacetic acid has a molecular weight of 276.06 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromo-2-fluorophenyl)methylideneamino]oxyacetic acid is sourced from PubChem (CID 77013172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).