5-bromo-1H-indole-2-carbonyl chloride

C9H5BrClNO — CID 13466371

IUPAC5-bromo-1H-indole-2-carbonyl chloride
SMILESO=C(Cl)c1cc2cc(Br)ccc2[nH]1
InChIInChI=1S/C9H5BrClNO/c10-6-1-2-7-5(3-6)4-8(12-7)9(11)13/h1-4,12H
InChIKeyDGWZYBMYEFYIOM-UHFFFAOYSA-N
MW258.50 g/mol
LogP3.31
Rot. Bonds1

About 5-bromo-1H-indole-2-carbonyl chloride

5-bromo-1H-indole-2-carbonyl chloride (PubChem CID 13466371) has the molecular formula C9H5BrClNO and a molecular weight of 258.50 g/mol. Its IUPAC name is 5-bromo-1H-indole-2-carbonyl chloride.

Molecular Properties

Compound Name5-bromo-1H-indole-2-carbonyl chloride
PubChem CID13466371
Molecular FormulaC9H5BrClNO
Molecular Weight258.50 g/mol
Exact Mass256.92
IUPAC Name5-bromo-1H-indole-2-carbonyl chloride
SMILESO=C(Cl)c1cc2cc(Br)ccc2[nH]1
InChIInChI=1S/C9H5BrClNO/c10-6-1-2-7-5(3-6)4-8(12-7)9(11)13/h1-4,12H
InChIKeyDGWZYBMYEFYIOM-UHFFFAOYSA-N
XLogP3.31
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.50
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-N,N-diethyl-1H-indole-2-carboxamide
CID 46555997
(5-bromo-1H-indol-2-yl)-(3,5-dimethylpyrazol-1-yl)methanone
CID 14244590
(5-bromo-1H-indol-2-yl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 111562101
5-bromo-N-ethyl-N-(2-hydroxy-2-methylpropyl)-1H-indole-2-carboxamide
CID 111596618
N-(1-benzyl-2-pyridinylidene)-5-bromo-1H-indole-2-carboxamide
CID 42947145
(5-bromo-1H-indol-2-yl)boronic acid
CID 53408103
5-chloro-1H-indole-2-carboxylic acid;ethane
CID 143173847
(5-bromo-1H-indol-2-yl)-[(2R)-2-methylmorpholin-4-yl]methanone
CID 30787030
N-[(4-acetamidophenyl)methyl]-5-bromo-1H-indole-2-carboxamide
CID 24678417
[4-(5-bromo-1H-indole-2-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 38909280
(5-bromo-1H-indol-2-yl) chloro hydrogen phosphate
CID 54266014
5-amino-N-(2,4-dibromophenyl)-1H-indole-2-carboxamide
CID 63118416

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1H-indole-2-carbonyl chloride?
The IUPAC name of 5-bromo-1H-indole-2-carbonyl chloride (CID 13466371) is 5-bromo-1H-indole-2-carbonyl chloride.
What is the SMILES notation for 5-bromo-1H-indole-2-carbonyl chloride?
The canonical SMILES for 5-bromo-1H-indole-2-carbonyl chloride is O=C(Cl)c1cc2cc(Br)ccc2[nH]1.
What is the InChIKey of 5-bromo-1H-indole-2-carbonyl chloride?
The InChIKey is DGWZYBMYEFYIOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5BrClNO/c10-6-1-2-7-5(3-6)4-8(12-7)9(11)13/h1-4,12H.
What are the key properties of 5-bromo-1H-indole-2-carbonyl chloride?
5-bromo-1H-indole-2-carbonyl chloride has a molecular weight of 258.50 g/mol, XLogP of 3.31, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1H-indole-2-carbonyl chloride is sourced from PubChem (CID 13466371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).