2-(6-bromo-2-formamido-1-hydroxy-3-oxo-1H-inden-2-yl)acetic acid

C12H10BrNO5 — CID 25100366

IUPAC2-(6-bromo-2-formamido-1-hydroxy-3-oxo-1H-inden-2-yl)acetic acid
SMILESO=CNC1(CC(=O)O)C(=O)c2ccc(Br)cc2C1O
InChIInChI=1S/C12H10BrNO5/c13-6-1-2-7-8(3-6)11(19)12(10(7)18,14-5-15)4-9(16)17/h1-3,5,11,19H,4H2,(H,14,15)(H,16,17)
InChIKeyDJCIPFSMQLJCME-UHFFFAOYSA-N
MW328.12 g/mol
LogP0.64
Rot. Bonds4

About 2-(6-bromo-2-formamido-1-hydroxy-3-oxo-1H-inden-2-yl)acetic acid

2-(6-bromo-2-formamido-1-hydroxy-3-oxo-1H-inden-2-yl)acetic acid (PubChem CID 25100366) has the molecular formula C12H10BrNO5 and a molecular weight of 328.12 g/mol. Its IUPAC name is 2-(6-bromo-2-formamido-1-hydroxy-3-oxo-1H-inden-2-yl)acetic acid.

Molecular Properties

Compound Name2-(6-bromo-2-formamido-1-hydroxy-3-oxo-1H-inden-2-yl)acetic acid
PubChem CID25100366
Molecular FormulaC12H10BrNO5
Molecular Weight328.12 g/mol
Exact Mass326.97
IUPAC Name2-(6-bromo-2-formamido-1-hydroxy-3-oxo-1H-inden-2-yl)acetic acid
SMILESO=CNC1(CC(=O)O)C(=O)c2ccc(Br)cc2C1O
InChIInChI=1S/C12H10BrNO5/c13-6-1-2-7-8(3-6)11(19)12(10(7)18,14-5-15)4-9(16)17/h1-3,5,11,19H,4H2,(H,14,15)(H,16,17)
InChIKeyDJCIPFSMQLJCME-UHFFFAOYSA-N
XLogP0.64
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.12
LogP ≤ 50.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-formamido-1-hydroxy-3-oxo-7-(trifluoromethyl)-1H-inden-2-yl]acetic acid
CID 25100980
2-(6-bromo-1-hydroxy-3-oxo-1H-isoindol-2-yl)acetic acid
CID 91444435
(3S)-5-bromo-3-hydroxy-2,3-dihydroisoindol-1-one
CID 86314575
2-(5-bromo-1,3-dioxoisoindol-2-yl)-N-(4-fluorophenyl)acetamide
CID 42052502
2-(7-bromo-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)acetic acid
CID 84644376
2-[1-[(2,5-dibromobenzoyl)amino]cyclobutyl]acetic acid
CID 114368164
2-[1-[(4-bromo-2-fluorophenyl)carbamoylamino]cyclobutyl]acetic acid
CID 79845281
(3S)-5-bromo-3-hydroxy-1,3-dihydroindol-2-one
CID 714172
2-[1-(2,4-dibromophenoxy)cyclobutyl]acetic acid
CID 103272583
N-[(1S)-6-bromo-3-oxo-1,2-dihydroinden-1-yl]acetamide
CID 91358406
2-(4-bromo-8-oxo-9-azatricyclo[8.1.1.02,7]dodeca-2(7),3,5-trien-9-yl)-N-(5-chloropyrimidin-2-yl)acetamide
CID 172622848
(2R)-6-bromo-2-hydroxy-3,4-dihydro-2H-naphthalen-1-one
CID 93493266

Frequently Asked Questions

What is the IUPAC name of 2-(6-bromo-2-formamido-1-hydroxy-3-oxo-1H-inden-2-yl)acetic acid?
The IUPAC name of 2-(6-bromo-2-formamido-1-hydroxy-3-oxo-1H-inden-2-yl)acetic acid (CID 25100366) is 2-(6-bromo-2-formamido-1-hydroxy-3-oxo-1H-inden-2-yl)acetic acid.
What is the SMILES notation for 2-(6-bromo-2-formamido-1-hydroxy-3-oxo-1H-inden-2-yl)acetic acid?
The canonical SMILES for 2-(6-bromo-2-formamido-1-hydroxy-3-oxo-1H-inden-2-yl)acetic acid is O=CNC1(CC(=O)O)C(=O)c2ccc(Br)cc2C1O.
What is the InChIKey of 2-(6-bromo-2-formamido-1-hydroxy-3-oxo-1H-inden-2-yl)acetic acid?
The InChIKey is DJCIPFSMQLJCME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrNO5/c13-6-1-2-7-8(3-6)11(19)12(10(7)18,14-5-15)4-9(16)17/h1-3,5,11,19H,4H2,(H,14,15)(H,16,17).
What are the key properties of 2-(6-bromo-2-formamido-1-hydroxy-3-oxo-1H-inden-2-yl)acetic acid?
2-(6-bromo-2-formamido-1-hydroxy-3-oxo-1H-inden-2-yl)acetic acid has a molecular weight of 328.12 g/mol, XLogP of 0.64, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromo-2-formamido-1-hydroxy-3-oxo-1H-inden-2-yl)acetic acid is sourced from PubChem (CID 25100366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).