methyl 4-bromo-5-fluoro-2-methyl-2,3-dihydro-1H-indole-7-carboxylate

C11H11BrFNO2 — CID 135369836

IUPACmethyl 4-bromo-5-fluoro-2-methyl-2,3-dihydro-1H-indole-7-carboxylate
SMILESCOC(=O)c1cc(F)c(Br)c2c1NC(C)C2
InChIInChI=1S/C11H11BrFNO2/c1-5-3-6-9(12)8(13)4-7(10(6)14-5)11(15)16-2/h4-5,14H,3H2,1-2H3
InChIKeyWNQQVUYWILBGIV-UHFFFAOYSA-N
MW288.12 g/mol
LogP2.73
Rot. Bonds1

About methyl 4-bromo-5-fluoro-2-methyl-2,3-dihydro-1H-indole-7-carboxylate

methyl 4-bromo-5-fluoro-2-methyl-2,3-dihydro-1H-indole-7-carboxylate (PubChem CID 135369836) has the molecular formula C11H11BrFNO2 and a molecular weight of 288.12 g/mol. Its IUPAC name is methyl 4-bromo-5-fluoro-2-methyl-2,3-dihydro-1H-indole-7-carboxylate.

Molecular Properties

Compound Namemethyl 4-bromo-5-fluoro-2-methyl-2,3-dihydro-1H-indole-7-carboxylate
PubChem CID135369836
Molecular FormulaC11H11BrFNO2
Molecular Weight288.12 g/mol
Exact Mass287.00
IUPAC Namemethyl 4-bromo-5-fluoro-2-methyl-2,3-dihydro-1H-indole-7-carboxylate
SMILESCOC(=O)c1cc(F)c(Br)c2c1NC(C)C2
InChIInChI=1S/C11H11BrFNO2/c1-5-3-6-9(12)8(13)4-7(10(6)14-5)11(15)16-2/h4-5,14H,3H2,1-2H3
InChIKeyWNQQVUYWILBGIV-UHFFFAOYSA-N
XLogP2.73
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.12
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 4-bromo-5-fluoro-2-methyl-2,3-dihydro-1H-indole-7-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 4-bromo-2,3,5-trifluorobenzoate
CID 122620788
methyl 3,4-dibromo-5-fluoro-2-hydroxybenzoate
CID 169225514
methyl 6-bromo-4-methyl-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepine-8-carboxylate
CID 171809834
8-bromo-7-fluoro-3-methyl-3,4-dihydro-2H-1,4-benzoxazine-5-carboxylic acid
CID 135369850
methyl 4-bromo-5-fluoro-1H-indazole-7-carboxylate
CID 167501849
methyl (3S)-4-acetyl-8-bromo-7-fluoro-3-methyl-2,3-dihydro-1,4-benzoxazine-5-carboxylate
CID 140940826
methyl 4-bromo-5-fluoro-2-hydroxybenzoate
CID 66887268
methyl 2-bromo-4,5-difluoro-3-(4-fluorobenzoyl)oxybenzoate
CID 176652645
methyl 4-bromo-5-fluoro-2-iodobenzoate
CID 130516007
methyl 2-amino-4-bromo-5-fluorobenzoate;hydrochloride
CID 91647667
methyl (3S)-8-bromo-7-fluoro-4-(3-methoxy-3-oxopropanoyl)-3-methyl-2,3-dihydro-1,4-benzoxazine-5-carboxylate
CID 140940850
methyl 4-bromo-2-(dibromomethyl)-5-fluorobenzoate
CID 165406435

Frequently Asked Questions

What is the IUPAC name of methyl 4-bromo-5-fluoro-2-methyl-2,3-dihydro-1H-indole-7-carboxylate?
The IUPAC name of methyl 4-bromo-5-fluoro-2-methyl-2,3-dihydro-1H-indole-7-carboxylate (CID 135369836) is methyl 4-bromo-5-fluoro-2-methyl-2,3-dihydro-1H-indole-7-carboxylate.
What is the SMILES notation for methyl 4-bromo-5-fluoro-2-methyl-2,3-dihydro-1H-indole-7-carboxylate?
The canonical SMILES for methyl 4-bromo-5-fluoro-2-methyl-2,3-dihydro-1H-indole-7-carboxylate is COC(=O)c1cc(F)c(Br)c2c1NC(C)C2.
What is the InChIKey of methyl 4-bromo-5-fluoro-2-methyl-2,3-dihydro-1H-indole-7-carboxylate?
The InChIKey is WNQQVUYWILBGIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrFNO2/c1-5-3-6-9(12)8(13)4-7(10(6)14-5)11(15)16-2/h4-5,14H,3H2,1-2H3.
What are the key properties of methyl 4-bromo-5-fluoro-2-methyl-2,3-dihydro-1H-indole-7-carboxylate?
methyl 4-bromo-5-fluoro-2-methyl-2,3-dihydro-1H-indole-7-carboxylate has a molecular weight of 288.12 g/mol, XLogP of 2.73, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-bromo-5-fluoro-2-methyl-2,3-dihydro-1H-indole-7-carboxylate is sourced from PubChem (CID 135369836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).