2-(7-bromo-5-fluoro-2,3-dioxoindol-1-yl)acetic acid

C10H5BrFNO4 — CID 61355936

IUPAC2-(7-bromo-5-fluoro-2,3-dioxoindol-1-yl)acetic acid
SMILESO=C(O)CN1C(=O)C(=O)c2cc(F)cc(Br)c21
InChIInChI=1S/C10H5BrFNO4/c11-6-2-4(12)1-5-8(6)13(3-7(14)15)10(17)9(5)16/h1-2H,3H2,(H,14,15)
InChIKeyJFTNVRAKYWXZQJ-UHFFFAOYSA-N
MW302.06 g/mol
LogP1.20
Rot. Bonds2

About 2-(7-bromo-5-fluoro-2,3-dioxoindol-1-yl)acetic acid

2-(7-bromo-5-fluoro-2,3-dioxoindol-1-yl)acetic acid (PubChem CID 61355936) has the molecular formula C10H5BrFNO4 and a molecular weight of 302.06 g/mol. Its IUPAC name is 2-(7-bromo-5-fluoro-2,3-dioxoindol-1-yl)acetic acid.

Molecular Properties

Compound Name2-(7-bromo-5-fluoro-2,3-dioxoindol-1-yl)acetic acid
PubChem CID61355936
Molecular FormulaC10H5BrFNO4
Molecular Weight302.06 g/mol
Exact Mass300.94
IUPAC Name2-(7-bromo-5-fluoro-2,3-dioxoindol-1-yl)acetic acid
SMILESO=C(O)CN1C(=O)C(=O)c2cc(F)cc(Br)c21
InChIInChI=1S/C10H5BrFNO4/c11-6-2-4(12)1-5-8(6)13(3-7(14)15)10(17)9(5)16/h1-2H,3H2,(H,14,15)
InChIKeyJFTNVRAKYWXZQJ-UHFFFAOYSA-N
XLogP1.20
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.06
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(7-bromo-5-fluoro-2,3-dioxoindol-1-yl)-N-ethyl-N-methylacetamide
CID 61355939
2-(7-bromo-5-fluoro-2,3-dioxoindol-1-yl)-N-cyclopropylacetamide
CID 61357107
7-bromo-5-fluoro-1-(3-oxobutyl)indole-2,3-dione
CID 62023663
7-bromo-1-(2-bromoethyl)-5-fluoroindole-2,3-dione
CID 61356601
7-bromo-1-but-2-enyl-5-fluoroindole-2,3-dione
CID 61357103
7-bromo-1-[(2-bromophenyl)methyl]-5-fluoroindole-2,3-dione
CID 61356769
7-bromo-5-fluoro-1-(pyrimidin-2-ylmethyl)indole-2,3-dione
CID 62699569
7-bromo-5-fluoro-1-[(3-fluorophenyl)methyl]indole-2,3-dione
CID 61355779
7-bromo-5-fluoro-1-[3-(propan-2-ylamino)propyl]indole-2,3-dione
CID 61388459
7-bromo-1-[2-(1,3-dioxan-2-yl)ethyl]-5-fluoroindole-2,3-dione
CID 66473136
7-bromo-1-[2-(bromomethyl)butyl]-5-fluoroindole-2,3-dione
CID 64994842
7-bromo-5-fluoro-1-(3-methoxy-3-methylbutyl)indole-2,3-dione
CID 103034134

Frequently Asked Questions

What is the IUPAC name of 2-(7-bromo-5-fluoro-2,3-dioxoindol-1-yl)acetic acid?
The IUPAC name of 2-(7-bromo-5-fluoro-2,3-dioxoindol-1-yl)acetic acid (CID 61355936) is 2-(7-bromo-5-fluoro-2,3-dioxoindol-1-yl)acetic acid.
What is the SMILES notation for 2-(7-bromo-5-fluoro-2,3-dioxoindol-1-yl)acetic acid?
The canonical SMILES for 2-(7-bromo-5-fluoro-2,3-dioxoindol-1-yl)acetic acid is O=C(O)CN1C(=O)C(=O)c2cc(F)cc(Br)c21.
What is the InChIKey of 2-(7-bromo-5-fluoro-2,3-dioxoindol-1-yl)acetic acid?
The InChIKey is JFTNVRAKYWXZQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5BrFNO4/c11-6-2-4(12)1-5-8(6)13(3-7(14)15)10(17)9(5)16/h1-2H,3H2,(H,14,15).
What are the key properties of 2-(7-bromo-5-fluoro-2,3-dioxoindol-1-yl)acetic acid?
2-(7-bromo-5-fluoro-2,3-dioxoindol-1-yl)acetic acid has a molecular weight of 302.06 g/mol, XLogP of 1.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-bromo-5-fluoro-2,3-dioxoindol-1-yl)acetic acid is sourced from PubChem (CID 61355936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).