4-bromo-3,3-dimethyl-1-pyridin-3-ylindol-2-one

C15H13BrN2O — CID 146306754

IUPAC4-bromo-3,3-dimethyl-1-pyridin-3-ylindol-2-one
SMILESCC1(C)C(=O)N(c2cccnc2)c2cccc(Br)c21
InChIInChI=1S/C15H13BrN2O/c1-15(2)13-11(16)6-3-7-12(13)18(14(15)19)10-5-4-8-17-9-10/h3-9H,1-2H3
InChIKeyOYMIPNOSTKJLEU-UHFFFAOYSA-N
MW317.19 g/mol
LogP3.80
Rot. Bonds1

About 4-bromo-3,3-dimethyl-1-pyridin-3-ylindol-2-one

4-bromo-3,3-dimethyl-1-pyridin-3-ylindol-2-one (PubChem CID 146306754) has the molecular formula C15H13BrN2O and a molecular weight of 317.19 g/mol. Its IUPAC name is 4-bromo-3,3-dimethyl-1-pyridin-3-ylindol-2-one.

Molecular Properties

Compound Name4-bromo-3,3-dimethyl-1-pyridin-3-ylindol-2-one
PubChem CID146306754
Molecular FormulaC15H13BrN2O
Molecular Weight317.19 g/mol
Exact Mass316.02
IUPAC Name4-bromo-3,3-dimethyl-1-pyridin-3-ylindol-2-one
SMILESCC1(C)C(=O)N(c2cccnc2)c2cccc(Br)c21
InChIInChI=1S/C15H13BrN2O/c1-15(2)13-11(16)6-3-7-12(13)18(14(15)19)10-5-4-8-17-9-10/h3-9H,1-2H3
InChIKeyOYMIPNOSTKJLEU-UHFFFAOYSA-N
XLogP3.80
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.19
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-3,3-dimethyl-1-pyridin-3-ylindol-2-one?
The IUPAC name of 4-bromo-3,3-dimethyl-1-pyridin-3-ylindol-2-one (CID 146306754) is 4-bromo-3,3-dimethyl-1-pyridin-3-ylindol-2-one.
What is the SMILES notation for 4-bromo-3,3-dimethyl-1-pyridin-3-ylindol-2-one?
The canonical SMILES for 4-bromo-3,3-dimethyl-1-pyridin-3-ylindol-2-one is CC1(C)C(=O)N(c2cccnc2)c2cccc(Br)c21.
What is the InChIKey of 4-bromo-3,3-dimethyl-1-pyridin-3-ylindol-2-one?
The InChIKey is OYMIPNOSTKJLEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2O/c1-15(2)13-11(16)6-3-7-12(13)18(14(15)19)10-5-4-8-17-9-10/h3-9H,1-2H3.
What are the key properties of 4-bromo-3,3-dimethyl-1-pyridin-3-ylindol-2-one?
4-bromo-3,3-dimethyl-1-pyridin-3-ylindol-2-one has a molecular weight of 317.19 g/mol, XLogP of 3.80, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3,3-dimethyl-1-pyridin-3-ylindol-2-one is sourced from PubChem (CID 146306754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).