(5-bromo-2,3-dihydro-1H-indol-7-yl)methyl formate

C10H10BrNO2 — CID 174607633

IUPAC(5-bromo-2,3-dihydro-1H-indol-7-yl)methyl formate
SMILESO=COCc1cc(Br)cc2c1NCC2
InChIInChI=1S/C10H10BrNO2/c11-9-3-7-1-2-12-10(7)8(4-9)5-14-6-13/h3-4,6,12H,1-2,5H2
InChIKeyIINMYYWTNIFNFJ-UHFFFAOYSA-N
MW256.10 g/mol
LogP2.09
Rot. Bonds3

About (5-bromo-2,3-dihydro-1H-indol-7-yl)methyl formate

(5-bromo-2,3-dihydro-1H-indol-7-yl)methyl formate (PubChem CID 174607633) has the molecular formula C10H10BrNO2 and a molecular weight of 256.10 g/mol. Its IUPAC name is (5-bromo-2,3-dihydro-1H-indol-7-yl)methyl formate.

Molecular Properties

Compound Name(5-bromo-2,3-dihydro-1H-indol-7-yl)methyl formate
PubChem CID174607633
Molecular FormulaC10H10BrNO2
Molecular Weight256.10 g/mol
Exact Mass254.99
IUPAC Name(5-bromo-2,3-dihydro-1H-indol-7-yl)methyl formate
SMILESO=COCc1cc(Br)cc2c1NCC2
InChIInChI=1S/C10H10BrNO2/c11-9-3-7-1-2-12-10(7)8(4-9)5-14-6-13/h3-4,6,12H,1-2,5H2
InChIKeyIINMYYWTNIFNFJ-UHFFFAOYSA-N
XLogP2.09
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.10
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5-bromo-2,3-dihydro-1H-indol-7-yl)methyl formate?
The IUPAC name of (5-bromo-2,3-dihydro-1H-indol-7-yl)methyl formate (CID 174607633) is (5-bromo-2,3-dihydro-1H-indol-7-yl)methyl formate.
What is the SMILES notation for (5-bromo-2,3-dihydro-1H-indol-7-yl)methyl formate?
The canonical SMILES for (5-bromo-2,3-dihydro-1H-indol-7-yl)methyl formate is O=COCc1cc(Br)cc2c1NCC2.
What is the InChIKey of (5-bromo-2,3-dihydro-1H-indol-7-yl)methyl formate?
The InChIKey is IINMYYWTNIFNFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrNO2/c11-9-3-7-1-2-12-10(7)8(4-9)5-14-6-13/h3-4,6,12H,1-2,5H2.
What are the key properties of (5-bromo-2,3-dihydro-1H-indol-7-yl)methyl formate?
(5-bromo-2,3-dihydro-1H-indol-7-yl)methyl formate has a molecular weight of 256.10 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2,3-dihydro-1H-indol-7-yl)methyl formate is sourced from PubChem (CID 174607633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).