(2Z)-2-(4-bromo-2-oxo-1H-indol-3-ylidene)acetic acid

C10H6BrNO3 — CID 82276593

IUPAC(2Z)-2-(4-bromo-2-oxo-1H-indol-3-ylidene)acetic acid
SMILESO=C(O)/C=C1\C(=O)Nc2cccc(Br)c21
InChIInChI=1S/C10H6BrNO3/c11-6-2-1-3-7-9(6)5(4-8(13)14)10(15)12-7/h1-4H,(H,12,15)(H,13,14)/b5-4-
InChIKeyZRXGUVXBPQRKQG-PLNGDYQASA-N
MW268.07 g/mol
LogP1.87
Rot. Bonds1

About (2Z)-2-(4-bromo-2-oxo-1H-indol-3-ylidene)acetic acid

(2Z)-2-(4-bromo-2-oxo-1H-indol-3-ylidene)acetic acid (PubChem CID 82276593) has the molecular formula C10H6BrNO3 and a molecular weight of 268.07 g/mol. Its IUPAC name is (2Z)-2-(4-bromo-2-oxo-1H-indol-3-ylidene)acetic acid.

Molecular Properties

Compound Name(2Z)-2-(4-bromo-2-oxo-1H-indol-3-ylidene)acetic acid
PubChem CID82276593
Molecular FormulaC10H6BrNO3
Molecular Weight268.07 g/mol
Exact Mass266.95
IUPAC Name(2Z)-2-(4-bromo-2-oxo-1H-indol-3-ylidene)acetic acid
SMILESO=C(O)/C=C1\C(=O)Nc2cccc(Br)c21
InChIInChI=1S/C10H6BrNO3/c11-6-2-1-3-7-9(6)5(4-8(13)14)10(15)12-7/h1-4H,(H,12,15)(H,13,14)/b5-4-
InChIKeyZRXGUVXBPQRKQG-PLNGDYQASA-N
XLogP1.87
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.07
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

ethyl (2E)-2-(4-bromo-2-oxo-1H-indol-3-ylidene)acetate
CID 102205950
(3Z)-4-bromo-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one
CID 143515088
4-chloro-3-phenacylidene-1H-indol-2-one
CID 67957581
3-[2-(5-bromo-3-pyridinyl)-2-oxoethylidene]-4-chloro-1H-indol-2-one
CID 67957993
(3Z)-3-[(3E)-2-oxo-3-(2-oxo-1H-indol-3-ylidene)propylidene]-1H-indol-2-one
CID 6289582
(3Z)-3-[(3Z)-2-oxo-3-(2-oxo-1H-indol-3-ylidene)propylidene]-1H-indol-2-one
CID 5378858
(3E)-3-[(2-bromophenyl)methylidene]-1H-indol-2-one
CID 47102912
(3Z)-3-phenacylidene-1H-indol-2-one
CID 682362
(3Z)-3-ethylidene-4-methyl-1H-indol-2-one
CID 58635316
3-[(4-bromophenyl)methylidene]-4-(2-hydroxyethyl)-1H-indol-2-one
CID 54040499
(2E)-2-(2-oxo-1H-indol-3-ylidene)acetate
CID 2345191
(3E)-3-[(E)-3-methyl-2-oxo-4-phenylbut-3-enylidene]-1H-indol-2-one
CID 10446890

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-(4-bromo-2-oxo-1H-indol-3-ylidene)acetic acid?
The IUPAC name of (2Z)-2-(4-bromo-2-oxo-1H-indol-3-ylidene)acetic acid (CID 82276593) is (2Z)-2-(4-bromo-2-oxo-1H-indol-3-ylidene)acetic acid.
What is the SMILES notation for (2Z)-2-(4-bromo-2-oxo-1H-indol-3-ylidene)acetic acid?
The canonical SMILES for (2Z)-2-(4-bromo-2-oxo-1H-indol-3-ylidene)acetic acid is O=C(O)/C=C1\C(=O)Nc2cccc(Br)c21.
What is the InChIKey of (2Z)-2-(4-bromo-2-oxo-1H-indol-3-ylidene)acetic acid?
The InChIKey is ZRXGUVXBPQRKQG-PLNGDYQASA-N. The full InChI is InChI=1S/C10H6BrNO3/c11-6-2-1-3-7-9(6)5(4-8(13)14)10(15)12-7/h1-4H,(H,12,15)(H,13,14)/b5-4-.
What are the key properties of (2Z)-2-(4-bromo-2-oxo-1H-indol-3-ylidene)acetic acid?
(2Z)-2-(4-bromo-2-oxo-1H-indol-3-ylidene)acetic acid has a molecular weight of 268.07 g/mol, XLogP of 1.87, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(4-bromo-2-oxo-1H-indol-3-ylidene)acetic acid is sourced from PubChem (CID 82276593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).