4-bromo-6-fluoro-2,3-dihydro-1H-indole-2-carboxylic acid

C9H7BrFNO2 — CID 83901860

IUPAC4-bromo-6-fluoro-2,3-dihydro-1H-indole-2-carboxylic acid
SMILESO=C(O)C1Cc2c(Br)cc(F)cc2N1
InChIInChI=1S/C9H7BrFNO2/c10-6-1-4(11)2-7-5(6)3-8(12-7)9(13)14/h1-2,8,12H,3H2,(H,13,14)
InChIKeyWQRCDJXSMFNWQW-UHFFFAOYSA-N
MW260.06 g/mol
LogP2.01
Rot. Bonds1

About 4-bromo-6-fluoro-2,3-dihydro-1H-indole-2-carboxylic acid

4-bromo-6-fluoro-2,3-dihydro-1H-indole-2-carboxylic acid (PubChem CID 83901860) has the molecular formula C9H7BrFNO2 and a molecular weight of 260.06 g/mol. Its IUPAC name is 4-bromo-6-fluoro-2,3-dihydro-1H-indole-2-carboxylic acid.

Molecular Properties

Compound Name4-bromo-6-fluoro-2,3-dihydro-1H-indole-2-carboxylic acid
PubChem CID83901860
Molecular FormulaC9H7BrFNO2
Molecular Weight260.06 g/mol
Exact Mass258.96
IUPAC Name4-bromo-6-fluoro-2,3-dihydro-1H-indole-2-carboxylic acid
SMILESO=C(O)C1Cc2c(Br)cc(F)cc2N1
InChIInChI=1S/C9H7BrFNO2/c10-6-1-4(11)2-7-5(6)3-8(12-7)9(13)14/h1-2,8,12H,3H2,(H,13,14)
InChIKeyWQRCDJXSMFNWQW-UHFFFAOYSA-N
XLogP2.01
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.06
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-6-fluoro-2,3-dihydro-1H-indole-2-carboxylic acid?
The IUPAC name of 4-bromo-6-fluoro-2,3-dihydro-1H-indole-2-carboxylic acid (CID 83901860) is 4-bromo-6-fluoro-2,3-dihydro-1H-indole-2-carboxylic acid.
What is the SMILES notation for 4-bromo-6-fluoro-2,3-dihydro-1H-indole-2-carboxylic acid?
The canonical SMILES for 4-bromo-6-fluoro-2,3-dihydro-1H-indole-2-carboxylic acid is O=C(O)C1Cc2c(Br)cc(F)cc2N1.
What is the InChIKey of 4-bromo-6-fluoro-2,3-dihydro-1H-indole-2-carboxylic acid?
The InChIKey is WQRCDJXSMFNWQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrFNO2/c10-6-1-4(11)2-7-5(6)3-8(12-7)9(13)14/h1-2,8,12H,3H2,(H,13,14).
What are the key properties of 4-bromo-6-fluoro-2,3-dihydro-1H-indole-2-carboxylic acid?
4-bromo-6-fluoro-2,3-dihydro-1H-indole-2-carboxylic acid has a molecular weight of 260.06 g/mol, XLogP of 2.01, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-6-fluoro-2,3-dihydro-1H-indole-2-carboxylic acid is sourced from PubChem (CID 83901860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).