1-(5-chloro-3,6-dimethyl-2-pyridinyl)pyrrolidine-2,5-dione

C11H11ClN2O2 — CID 18717207

IUPAC1-(5-chloro-3,6-dimethyl-2-pyridinyl)pyrrolidine-2,5-dione
SMILESCc1cc(Cl)c(C)nc1N1C(=O)CCC1=O
InChIInChI=1S/C11H11ClN2O2/c1-6-5-8(12)7(2)13-11(6)14-9(15)3-4-10(14)16/h5H,3-4H2,1-2H3
InChIKeyIGLTUYDRPGSFLA-UHFFFAOYSA-N
MW238.67 g/mol
LogP2.01
Rot. Bonds1

About 1-(5-chloro-3,6-dimethyl-2-pyridinyl)pyrrolidine-2,5-dione

1-(5-chloro-3,6-dimethyl-2-pyridinyl)pyrrolidine-2,5-dione (PubChem CID 18717207) has the molecular formula C11H11ClN2O2 and a molecular weight of 238.67 g/mol. Its IUPAC name is 1-(5-chloro-3,6-dimethyl-2-pyridinyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(5-chloro-3,6-dimethyl-2-pyridinyl)pyrrolidine-2,5-dione
PubChem CID18717207
Molecular FormulaC11H11ClN2O2
Molecular Weight238.67 g/mol
Exact Mass238.05
IUPAC Name1-(5-chloro-3,6-dimethyl-2-pyridinyl)pyrrolidine-2,5-dione
SMILESCc1cc(Cl)c(C)nc1N1C(=O)CCC1=O
InChIInChI=1S/C11H11ClN2O2/c1-6-5-8(12)7(2)13-11(6)14-9(15)3-4-10(14)16/h5H,3-4H2,1-2H3
InChIKeyIGLTUYDRPGSFLA-UHFFFAOYSA-N
XLogP2.01
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.67
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(5-chloro-3,6-dimethyl-2-pyridinyl)-7-methylidene-5,6,8,9-tetrahydro-[1,2,4]triazolo[1,2-a]diazepine-1,3-dione
CID 18731717
2-(5-chloro-3,6-dimethyl-2-pyridinyl)-6-methylidene-7,8-dihydro-5H-[1,2,4]triazolo[1,2-a]pyridazine-1,3-dione
CID 18731707
2-(5-chloro-3,6-dimethyl-2-pyridinyl)-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione
CID 18717440
2-(5-chloro-3,6-dimethyl-2-pyridinyl)-6-methylidene-7,7a-dihydro-5H-pyrrolo[1,2-c]imidazole-1,3-dione
CID 18717330
[2-(5-chloro-3,6-dimethyl-2-pyridinyl)-1,3-dioxo-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridin-7-yl] methanesulfonate
CID 18717445
2-(5-chloro-3,6-dimethyl-2-pyridinyl)-5-(1,1-difluoroethyl)-4-methylpyridazin-3-one
CID 18717264
5-chloro-3-(5-chloro-3,6-dimethyl-2-pyridinyl)-1,6-bis(difluoromethyl)pyrimidine-2,4-dione
CID 91453030
1-(4-chloro-2-methylphenyl)pyrrolidine-2,5-dione
CID 82080534
6-(2,5-dioxopyrrolidin-1-yl)-2,4-dimethylpyridine-3-carbonitrile
CID 154304998
1-(2,5-dichloro-4-methylphenyl)-1,3-diazinane-2,4,6-trione
CID 113446034
2-(3,5-dichloro-6-methyl-2-pyridinyl)-5-methyltriazole-4-carboxylic acid
CID 97057699
1-(2-amino-4,5-dimethylphenyl)pyrrolidine-2,5-dione
CID 62100322

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-3,6-dimethyl-2-pyridinyl)pyrrolidine-2,5-dione?
The IUPAC name of 1-(5-chloro-3,6-dimethyl-2-pyridinyl)pyrrolidine-2,5-dione (CID 18717207) is 1-(5-chloro-3,6-dimethyl-2-pyridinyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(5-chloro-3,6-dimethyl-2-pyridinyl)pyrrolidine-2,5-dione?
The canonical SMILES for 1-(5-chloro-3,6-dimethyl-2-pyridinyl)pyrrolidine-2,5-dione is Cc1cc(Cl)c(C)nc1N1C(=O)CCC1=O.
What is the InChIKey of 1-(5-chloro-3,6-dimethyl-2-pyridinyl)pyrrolidine-2,5-dione?
The InChIKey is IGLTUYDRPGSFLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O2/c1-6-5-8(12)7(2)13-11(6)14-9(15)3-4-10(14)16/h5H,3-4H2,1-2H3.
What are the key properties of 1-(5-chloro-3,6-dimethyl-2-pyridinyl)pyrrolidine-2,5-dione?
1-(5-chloro-3,6-dimethyl-2-pyridinyl)pyrrolidine-2,5-dione has a molecular weight of 238.67 g/mol, XLogP of 2.01, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-3,6-dimethyl-2-pyridinyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 18717207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).