1-[4-(5-bromo-3-pyridinyl)phenyl]-3H-indol-2-one

C19H13BrN2O — CID 153229240

IUPAC1-[4-(5-bromo-3-pyridinyl)phenyl]-3H-indol-2-one
SMILESO=C1Cc2ccccc2N1c1ccc(-c2cncc(Br)c2)cc1
InChIInChI=1S/C19H13BrN2O/c20-16-9-15(11-21-12-16)13-5-7-17(8-6-13)22-18-4-2-1-3-14(18)10-19(22)23/h1-9,11-12H,10H2
InChIKeyWPFGIQNUOWGJPH-UHFFFAOYSA-N
MW365.23 g/mol
LogP4.73
Rot. Bonds2

About 1-[4-(5-bromo-3-pyridinyl)phenyl]-3H-indol-2-one

1-[4-(5-bromo-3-pyridinyl)phenyl]-3H-indol-2-one (PubChem CID 153229240) has the molecular formula C19H13BrN2O and a molecular weight of 365.23 g/mol. Its IUPAC name is 1-[4-(5-bromo-3-pyridinyl)phenyl]-3H-indol-2-one.

Molecular Properties

Compound Name1-[4-(5-bromo-3-pyridinyl)phenyl]-3H-indol-2-one
PubChem CID153229240
Molecular FormulaC19H13BrN2O
Molecular Weight365.23 g/mol
Exact Mass364.02
IUPAC Name1-[4-(5-bromo-3-pyridinyl)phenyl]-3H-indol-2-one
SMILESO=C1Cc2ccccc2N1c1ccc(-c2cncc(Br)c2)cc1
InChIInChI=1S/C19H13BrN2O/c20-16-9-15(11-21-12-16)13-5-7-17(8-6-13)22-18-4-2-1-3-14(18)10-19(22)23/h1-9,11-12H,10H2
InChIKeyWPFGIQNUOWGJPH-UHFFFAOYSA-N
XLogP4.73
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.23
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[4-(5-bromo-3-pyridinyl)phenyl]-3H-indol-2-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-bromo-3-pyridinyl)phenyl]-3H-indol-2-one?
The IUPAC name of 1-[4-(5-bromo-3-pyridinyl)phenyl]-3H-indol-2-one (CID 153229240) is 1-[4-(5-bromo-3-pyridinyl)phenyl]-3H-indol-2-one.
What is the SMILES notation for 1-[4-(5-bromo-3-pyridinyl)phenyl]-3H-indol-2-one?
The canonical SMILES for 1-[4-(5-bromo-3-pyridinyl)phenyl]-3H-indol-2-one is O=C1Cc2ccccc2N1c1ccc(-c2cncc(Br)c2)cc1.
What is the InChIKey of 1-[4-(5-bromo-3-pyridinyl)phenyl]-3H-indol-2-one?
The InChIKey is WPFGIQNUOWGJPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13BrN2O/c20-16-9-15(11-21-12-16)13-5-7-17(8-6-13)22-18-4-2-1-3-14(18)10-19(22)23/h1-9,11-12H,10H2.
What are the key properties of 1-[4-(5-bromo-3-pyridinyl)phenyl]-3H-indol-2-one?
1-[4-(5-bromo-3-pyridinyl)phenyl]-3H-indol-2-one has a molecular weight of 365.23 g/mol, XLogP of 4.73, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-bromo-3-pyridinyl)phenyl]-3H-indol-2-one is sourced from PubChem (CID 153229240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).