4-(3-bromo-4-fluoroanilino)-7-fluoro-1H-indole-2-carboxylic acid

C15H9BrF2N2O2 — CID 162660312

IUPAC4-(3-bromo-4-fluoroanilino)-7-fluoro-1H-indole-2-carboxylic acid
SMILESO=C(O)c1cc2c(Nc3ccc(F)c(Br)c3)ccc(F)c2[nH]1
InChIInChI=1S/C15H9BrF2N2O2/c16-9-5-7(1-2-10(9)17)19-12-4-3-11(18)14-8(12)6-13(20-14)15(21)22/h1-6,19-20H,(H,21,22)
InChIKeyXOCQCOSNJGIZNF-UHFFFAOYSA-N
MW367.15 g/mol
LogP4.65
Rot. Bonds3

About 4-(3-bromo-4-fluoroanilino)-7-fluoro-1H-indole-2-carboxylic acid

4-(3-bromo-4-fluoroanilino)-7-fluoro-1H-indole-2-carboxylic acid (PubChem CID 162660312) has the molecular formula C15H9BrF2N2O2 and a molecular weight of 367.15 g/mol. Its IUPAC name is 4-(3-bromo-4-fluoroanilino)-7-fluoro-1H-indole-2-carboxylic acid.

Molecular Properties

Compound Name4-(3-bromo-4-fluoroanilino)-7-fluoro-1H-indole-2-carboxylic acid
PubChem CID162660312
Molecular FormulaC15H9BrF2N2O2
Molecular Weight367.15 g/mol
Exact Mass365.98
IUPAC Name4-(3-bromo-4-fluoroanilino)-7-fluoro-1H-indole-2-carboxylic acid
SMILESO=C(O)c1cc2c(Nc3ccc(F)c(Br)c3)ccc(F)c2[nH]1
InChIInChI=1S/C15H9BrF2N2O2/c16-9-5-7(1-2-10(9)17)19-12-4-3-11(18)14-8(12)6-13(20-14)15(21)22/h1-6,19-20H,(H,21,22)
InChIKeyXOCQCOSNJGIZNF-UHFFFAOYSA-N
XLogP4.65
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.15
LogP ≤ 54.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3-bromo-4-fluoroanilino)-7-fluoro-1H-indole-2-carboxylic acid?
The IUPAC name of 4-(3-bromo-4-fluoroanilino)-7-fluoro-1H-indole-2-carboxylic acid (CID 162660312) is 4-(3-bromo-4-fluoroanilino)-7-fluoro-1H-indole-2-carboxylic acid.
What is the SMILES notation for 4-(3-bromo-4-fluoroanilino)-7-fluoro-1H-indole-2-carboxylic acid?
The canonical SMILES for 4-(3-bromo-4-fluoroanilino)-7-fluoro-1H-indole-2-carboxylic acid is O=C(O)c1cc2c(Nc3ccc(F)c(Br)c3)ccc(F)c2[nH]1.
What is the InChIKey of 4-(3-bromo-4-fluoroanilino)-7-fluoro-1H-indole-2-carboxylic acid?
The InChIKey is XOCQCOSNJGIZNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrF2N2O2/c16-9-5-7(1-2-10(9)17)19-12-4-3-11(18)14-8(12)6-13(20-14)15(21)22/h1-6,19-20H,(H,21,22).
What are the key properties of 4-(3-bromo-4-fluoroanilino)-7-fluoro-1H-indole-2-carboxylic acid?
4-(3-bromo-4-fluoroanilino)-7-fluoro-1H-indole-2-carboxylic acid has a molecular weight of 367.15 g/mol, XLogP of 4.65, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromo-4-fluoroanilino)-7-fluoro-1H-indole-2-carboxylic acid is sourced from PubChem (CID 162660312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).