2-methyl-4-pyridin-3-yl-2,3-dihydroinden-1-one

C15H13NO — CID 22173484

IUPAC2-methyl-4-pyridin-3-yl-2,3-dihydroinden-1-one
SMILESCC1Cc2c(cccc2-c2cccnc2)C1=O
InChIInChI=1S/C15H13NO/c1-10-8-14-12(11-4-3-7-16-9-11)5-2-6-13(14)15(10)17/h2-7,9-10H,8H2,1H3
InChIKeyZOTDLVQNTSHOIZ-UHFFFAOYSA-N
MW223.28 g/mol
LogP3.12
Rot. Bonds1

About 2-methyl-4-pyridin-3-yl-2,3-dihydroinden-1-one

2-methyl-4-pyridin-3-yl-2,3-dihydroinden-1-one (PubChem CID 22173484) has the molecular formula C15H13NO and a molecular weight of 223.28 g/mol. Its IUPAC name is 2-methyl-4-pyridin-3-yl-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name2-methyl-4-pyridin-3-yl-2,3-dihydroinden-1-one
PubChem CID22173484
Molecular FormulaC15H13NO
Molecular Weight223.28 g/mol
Exact Mass223.10
IUPAC Name2-methyl-4-pyridin-3-yl-2,3-dihydroinden-1-one
SMILESCC1Cc2c(cccc2-c2cccnc2)C1=O
InChIInChI=1S/C15H13NO/c1-10-8-14-12(11-4-3-7-16-9-11)5-2-6-13(14)15(10)17/h2-7,9-10H,8H2,1H3
InChIKeyZOTDLVQNTSHOIZ-UHFFFAOYSA-N
XLogP3.12
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3,5-dimethylphenyl)-2-methyl-2,3-dihydroinden-1-one
CID 22173236
3-(1,3-dihydro-2-benzofuran-4-yl)pyridine;methanamine
CID 142525776
4-bromo-2-methyl-2,3-dihydroinden-1-one;ethane
CID 143769124
3-(5-pyridin-3-ylnaphthalen-1-yl)pyridine
CID 169050404
(2-methyl-1-oxo-2,3-dihydroinden-4-yl) acetate
CID 22173228
2-methyl-4-thiophen-2-yl-2,3-dihydroinden-1-one
CID 22173067
6-methyl-5,6-dihydrocyclopenta[c]pyridin-7-one
CID 59252733
N,N-dimethyl-5-pyridin-3-yl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 25070235
7-amino-4-pyridin-3-yl-5,7,8,9-tetrahydrobenzo[7]annulen-6-one
CID 122183618
3-(2-methoxy-3-pyridin-3-ylphenyl)pyridine
CID 46316374
3-(2-methyl-3-phenylphenyl)pyridine
CID 91046767
5-pyridin-3-yl-1,2,3,4-tetrahydroisoquinoline
CID 56863104

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-pyridin-3-yl-2,3-dihydroinden-1-one?
The IUPAC name of 2-methyl-4-pyridin-3-yl-2,3-dihydroinden-1-one (CID 22173484) is 2-methyl-4-pyridin-3-yl-2,3-dihydroinden-1-one.
What is the SMILES notation for 2-methyl-4-pyridin-3-yl-2,3-dihydroinden-1-one?
The canonical SMILES for 2-methyl-4-pyridin-3-yl-2,3-dihydroinden-1-one is CC1Cc2c(cccc2-c2cccnc2)C1=O.
What is the InChIKey of 2-methyl-4-pyridin-3-yl-2,3-dihydroinden-1-one?
The InChIKey is ZOTDLVQNTSHOIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO/c1-10-8-14-12(11-4-3-7-16-9-11)5-2-6-13(14)15(10)17/h2-7,9-10H,8H2,1H3.
What are the key properties of 2-methyl-4-pyridin-3-yl-2,3-dihydroinden-1-one?
2-methyl-4-pyridin-3-yl-2,3-dihydroinden-1-one has a molecular weight of 223.28 g/mol, XLogP of 3.12, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-pyridin-3-yl-2,3-dihydroinden-1-one is sourced from PubChem (CID 22173484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).