5-(3-chloro-5-methyl-4-pyridinyl)-7-methyl-1,3-dihydroindol-2-one

C15H13ClN2O — CID 134472954

IUPAC5-(3-chloro-5-methyl-4-pyridinyl)-7-methyl-1,3-dihydroindol-2-one
SMILESCc1cc(-c2c(C)cncc2Cl)cc2c1NC(=O)C2
InChIInChI=1S/C15H13ClN2O/c1-8-3-10(4-11-5-13(19)18-15(8)11)14-9(2)6-17-7-12(14)16/h3-4,6-7H,5H2,1-2H3,(H,18,19)
InChIKeyJACIIQPCBVYXCC-UHFFFAOYSA-N
MW272.73 g/mol
LogP3.51
Rot. Bonds1

About 5-(3-chloro-5-methyl-4-pyridinyl)-7-methyl-1,3-dihydroindol-2-one

5-(3-chloro-5-methyl-4-pyridinyl)-7-methyl-1,3-dihydroindol-2-one (PubChem CID 134472954) has the molecular formula C15H13ClN2O and a molecular weight of 272.73 g/mol. Its IUPAC name is 5-(3-chloro-5-methyl-4-pyridinyl)-7-methyl-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-(3-chloro-5-methyl-4-pyridinyl)-7-methyl-1,3-dihydroindol-2-one
PubChem CID134472954
Molecular FormulaC15H13ClN2O
Molecular Weight272.73 g/mol
Exact Mass272.07
IUPAC Name5-(3-chloro-5-methyl-4-pyridinyl)-7-methyl-1,3-dihydroindol-2-one
SMILESCc1cc(-c2c(C)cncc2Cl)cc2c1NC(=O)C2
InChIInChI=1S/C15H13ClN2O/c1-8-3-10(4-11-5-13(19)18-15(8)11)14-9(2)6-17-7-12(14)16/h3-4,6-7H,5H2,1-2H3,(H,18,19)
InChIKeyJACIIQPCBVYXCC-UHFFFAOYSA-N
XLogP3.51
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.73
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-5-methyl-4-pyridinyl)-7-methyl-1,3-dihydroindol-2-one?
The IUPAC name of 5-(3-chloro-5-methyl-4-pyridinyl)-7-methyl-1,3-dihydroindol-2-one (CID 134472954) is 5-(3-chloro-5-methyl-4-pyridinyl)-7-methyl-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-(3-chloro-5-methyl-4-pyridinyl)-7-methyl-1,3-dihydroindol-2-one?
The canonical SMILES for 5-(3-chloro-5-methyl-4-pyridinyl)-7-methyl-1,3-dihydroindol-2-one is Cc1cc(-c2c(C)cncc2Cl)cc2c1NC(=O)C2.
What is the InChIKey of 5-(3-chloro-5-methyl-4-pyridinyl)-7-methyl-1,3-dihydroindol-2-one?
The InChIKey is JACIIQPCBVYXCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O/c1-8-3-10(4-11-5-13(19)18-15(8)11)14-9(2)6-17-7-12(14)16/h3-4,6-7H,5H2,1-2H3,(H,18,19).
What are the key properties of 5-(3-chloro-5-methyl-4-pyridinyl)-7-methyl-1,3-dihydroindol-2-one?
5-(3-chloro-5-methyl-4-pyridinyl)-7-methyl-1,3-dihydroindol-2-one has a molecular weight of 272.73 g/mol, XLogP of 3.51, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-5-methyl-4-pyridinyl)-7-methyl-1,3-dihydroindol-2-one is sourced from PubChem (CID 134472954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).