5-chloro-1-[(3-methyl-2-pyridinyl)methyl]indole-2,3-dione

C15H11ClN2O2 — CID 115886887

IUPAC5-chloro-1-[(3-methyl-2-pyridinyl)methyl]indole-2,3-dione
SMILESCc1cccnc1CN1C(=O)C(=O)c2cc(Cl)ccc21
InChIInChI=1S/C15H11ClN2O2/c1-9-3-2-6-17-12(9)8-18-13-5-4-10(16)7-11(13)14(19)15(18)20/h2-7H,8H2,1H3
InChIKeyQHQIARDWKDOULK-UHFFFAOYSA-N
MW286.72 g/mol
LogP2.77
Rot. Bonds2

About 5-chloro-1-[(3-methyl-2-pyridinyl)methyl]indole-2,3-dione

5-chloro-1-[(3-methyl-2-pyridinyl)methyl]indole-2,3-dione (PubChem CID 115886887) has the molecular formula C15H11ClN2O2 and a molecular weight of 286.72 g/mol. Its IUPAC name is 5-chloro-1-[(3-methyl-2-pyridinyl)methyl]indole-2,3-dione.

Molecular Properties

Compound Name5-chloro-1-[(3-methyl-2-pyridinyl)methyl]indole-2,3-dione
PubChem CID115886887
Molecular FormulaC15H11ClN2O2
Molecular Weight286.72 g/mol
Exact Mass286.05
IUPAC Name5-chloro-1-[(3-methyl-2-pyridinyl)methyl]indole-2,3-dione
SMILESCc1cccnc1CN1C(=O)C(=O)c2cc(Cl)ccc21
InChIInChI=1S/C15H11ClN2O2/c1-9-3-2-6-17-12(9)8-18-13-5-4-10(16)7-11(13)14(19)15(18)20/h2-7H,8H2,1H3
InChIKeyQHQIARDWKDOULK-UHFFFAOYSA-N
XLogP2.77
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.72
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

5-methoxy-1-[(3-methyl-2-pyridinyl)methyl]indole-2,3-dione
CID 115982073
5-chloro-1-[[4-[(5-chloro-2,3-dioxoindol-1-yl)methyl]phenyl]methyl]indole-2,3-dione
CID 139227622
5-chloro-1-[2-(2-methylimidazol-1-yl)ethyl]indole-2,3-dione
CID 61493871
5-chloro-1-[[4-[(2-methylphenyl)methyl]piperazin-1-yl]methyl]indole-2,3-dione
CID 9171044
5-chloro-1-(2-chloroethyl)indole-2,3-dione
CID 12634820
5-chloro-1-[(4-propoxyphenyl)methyl]indole-2,3-dione
CID 9191121
5-chloro-1-[(E)-3-chloroprop-2-enyl]indole-2,3-dione
CID 103826042
1-[(4-chloro-2-pyridinyl)methyl]-5,6-difluoroindole-2,3-dione
CID 80727787
5-chloro-1-(2-fluoroethyl)indole-2,3-dione
CID 80694760
5-chloro-1-(2-ethylbutyl)indole-2,3-dione
CID 82928521
5-ethyl-1-(pyrimidin-2-ylmethyl)indole-2,3-dione
CID 62699942
5-chloro-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]indole-2,3-dione
CID 62071339

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-[(3-methyl-2-pyridinyl)methyl]indole-2,3-dione?
The IUPAC name of 5-chloro-1-[(3-methyl-2-pyridinyl)methyl]indole-2,3-dione (CID 115886887) is 5-chloro-1-[(3-methyl-2-pyridinyl)methyl]indole-2,3-dione.
What is the SMILES notation for 5-chloro-1-[(3-methyl-2-pyridinyl)methyl]indole-2,3-dione?
The canonical SMILES for 5-chloro-1-[(3-methyl-2-pyridinyl)methyl]indole-2,3-dione is Cc1cccnc1CN1C(=O)C(=O)c2cc(Cl)ccc21.
What is the InChIKey of 5-chloro-1-[(3-methyl-2-pyridinyl)methyl]indole-2,3-dione?
The InChIKey is QHQIARDWKDOULK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O2/c1-9-3-2-6-17-12(9)8-18-13-5-4-10(16)7-11(13)14(19)15(18)20/h2-7H,8H2,1H3.
What are the key properties of 5-chloro-1-[(3-methyl-2-pyridinyl)methyl]indole-2,3-dione?
5-chloro-1-[(3-methyl-2-pyridinyl)methyl]indole-2,3-dione has a molecular weight of 286.72 g/mol, XLogP of 2.77, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-[(3-methyl-2-pyridinyl)methyl]indole-2,3-dione is sourced from PubChem (CID 115886887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).