methyl 7-bromo-2,3-dihydro-1H-indole-5-carboxylate

C10H10BrNO2 — CID 117110571

IUPACmethyl 7-bromo-2,3-dihydro-1H-indole-5-carboxylate
SMILESCOC(=O)c1cc(Br)c2c(c1)CCN2
InChIInChI=1S/C10H10BrNO2/c1-14-10(13)7-4-6-2-3-12-9(6)8(11)5-7/h4-5,12H,2-3H2,1H3
InChIKeyGUWZMODLGKNYOC-UHFFFAOYSA-N
MW256.10 g/mol
LogP2.20
Rot. Bonds1

About methyl 7-bromo-2,3-dihydro-1H-indole-5-carboxylate

methyl 7-bromo-2,3-dihydro-1H-indole-5-carboxylate (PubChem CID 117110571) has the molecular formula C10H10BrNO2 and a molecular weight of 256.10 g/mol. Its IUPAC name is methyl 7-bromo-2,3-dihydro-1H-indole-5-carboxylate.

Molecular Properties

Compound Namemethyl 7-bromo-2,3-dihydro-1H-indole-5-carboxylate
PubChem CID117110571
Molecular FormulaC10H10BrNO2
Molecular Weight256.10 g/mol
Exact Mass254.99
IUPAC Namemethyl 7-bromo-2,3-dihydro-1H-indole-5-carboxylate
SMILESCOC(=O)c1cc(Br)c2c(c1)CCN2
InChIInChI=1S/C10H10BrNO2/c1-14-10(13)7-4-6-2-3-12-9(6)8(11)5-7/h4-5,12H,2-3H2,1H3
InChIKeyGUWZMODLGKNYOC-UHFFFAOYSA-N
XLogP2.20
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.10
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 7-bromo-2,3-dihydro-1H-indole-5-carboxylate?
The IUPAC name of methyl 7-bromo-2,3-dihydro-1H-indole-5-carboxylate (CID 117110571) is methyl 7-bromo-2,3-dihydro-1H-indole-5-carboxylate.
What is the SMILES notation for methyl 7-bromo-2,3-dihydro-1H-indole-5-carboxylate?
The canonical SMILES for methyl 7-bromo-2,3-dihydro-1H-indole-5-carboxylate is COC(=O)c1cc(Br)c2c(c1)CCN2.
What is the InChIKey of methyl 7-bromo-2,3-dihydro-1H-indole-5-carboxylate?
The InChIKey is GUWZMODLGKNYOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrNO2/c1-14-10(13)7-4-6-2-3-12-9(6)8(11)5-7/h4-5,12H,2-3H2,1H3.
What are the key properties of methyl 7-bromo-2,3-dihydro-1H-indole-5-carboxylate?
methyl 7-bromo-2,3-dihydro-1H-indole-5-carboxylate has a molecular weight of 256.10 g/mol, XLogP of 2.20, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-bromo-2,3-dihydro-1H-indole-5-carboxylate is sourced from PubChem (CID 117110571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).