phosphanyl 3-bromo-1H-indole-2-carboxylate

C9H7BrNO2P — CID 59493991

IUPACphosphanyl 3-bromo-1H-indole-2-carboxylate
SMILESO=C(OP)c1[nH]c2ccccc2c1Br
InChIInChI=1S/C9H7BrNO2P/c10-7-5-3-1-2-4-6(5)11-8(7)9(12)13-14/h1-4,11H,14H2
InChIKeyDNWOPISAICYCCY-UHFFFAOYSA-N
MW272.04 g/mol
LogP2.88
Rot. Bonds1

About phosphanyl 3-bromo-1H-indole-2-carboxylate

phosphanyl 3-bromo-1H-indole-2-carboxylate (PubChem CID 59493991) has the molecular formula C9H7BrNO2P and a molecular weight of 272.04 g/mol. Its IUPAC name is phosphanyl 3-bromo-1H-indole-2-carboxylate.

Molecular Properties

Compound Namephosphanyl 3-bromo-1H-indole-2-carboxylate
PubChem CID59493991
Molecular FormulaC9H7BrNO2P
Molecular Weight272.04 g/mol
Exact Mass270.94
IUPAC Namephosphanyl 3-bromo-1H-indole-2-carboxylate
SMILESO=C(OP)c1[nH]c2ccccc2c1Br
InChIInChI=1S/C9H7BrNO2P/c10-7-5-3-1-2-4-6(5)11-8(7)9(12)13-14/h1-4,11H,14H2
InChIKeyDNWOPISAICYCCY-UHFFFAOYSA-N
XLogP2.88
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.04
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-1H-indole-2-carboxylate
CID 2325687
(3-fluorophenyl)methyl 3-bromo-1H-indole-2-carboxylate
CID 46459757
2-cyclohexyloxyethyl 3-bromo-1H-indole-2-carboxylate
CID 166189743
azocan-1-yl-(3-bromo-1H-indol-2-yl)methanone
CID 51122078
3-bromo-N-(4-bromophenyl)-1H-indole-2-carboxamide
CID 47212938
[2-(3,4-difluorophenyl)-2-oxoethyl] 3-bromo-1H-indole-2-carboxylate
CID 55703772
1,3-benzothiazol-2-ylmethyl 3-bromo-1H-indole-2-carboxylate
CID 46459730
2-[(3-bromo-1H-indole-2-carbonyl)amino]propanediamide
CID 47323201
N-(4-acetamidophenyl)-3-bromo-1H-indole-2-carboxamide
CID 47037294
2-[(3-bromo-1H-indole-2-carbonyl)-propylamino]acetic acid
CID 119205142
[2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 3-bromo-1H-indole-2-carboxylate
CID 46459756
2-[4-(dimethylsulfamoyl)phenoxy]ethyl 3-bromo-1H-indole-2-carboxylate
CID 55703916

Frequently Asked Questions

What is the IUPAC name of phosphanyl 3-bromo-1H-indole-2-carboxylate?
The IUPAC name of phosphanyl 3-bromo-1H-indole-2-carboxylate (CID 59493991) is phosphanyl 3-bromo-1H-indole-2-carboxylate.
What is the SMILES notation for phosphanyl 3-bromo-1H-indole-2-carboxylate?
The canonical SMILES for phosphanyl 3-bromo-1H-indole-2-carboxylate is O=C(OP)c1[nH]c2ccccc2c1Br.
What is the InChIKey of phosphanyl 3-bromo-1H-indole-2-carboxylate?
The InChIKey is DNWOPISAICYCCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrNO2P/c10-7-5-3-1-2-4-6(5)11-8(7)9(12)13-14/h1-4,11H,14H2.
What are the key properties of phosphanyl 3-bromo-1H-indole-2-carboxylate?
phosphanyl 3-bromo-1H-indole-2-carboxylate has a molecular weight of 272.04 g/mol, XLogP of 2.88, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phosphanyl 3-bromo-1H-indole-2-carboxylate is sourced from PubChem (CID 59493991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).