1-[(6-chloro-2-pyridinyl)amino]-3-methylpyrrole-2,5-dione

C10H8ClN3O2 — CID 177168080

IUPAC1-[(6-chloro-2-pyridinyl)amino]-3-methylpyrrole-2,5-dione
SMILESCC1=CC(=O)N(Nc2cccc(Cl)n2)C1=O
InChIInChI=1S/C10H8ClN3O2/c1-6-5-9(15)14(10(6)16)13-8-4-2-3-7(11)12-8/h2-5H,1H3,(H,12,13)
InChIKeyAAKUEZLZNYNRRY-UHFFFAOYSA-N
MW237.65 g/mol
LogP1.38
Rot. Bonds2

About 1-[(6-chloro-2-pyridinyl)amino]-3-methylpyrrole-2,5-dione

1-[(6-chloro-2-pyridinyl)amino]-3-methylpyrrole-2,5-dione (PubChem CID 177168080) has the molecular formula C10H8ClN3O2 and a molecular weight of 237.65 g/mol. Its IUPAC name is 1-[(6-chloro-2-pyridinyl)amino]-3-methylpyrrole-2,5-dione.

Molecular Properties

Compound Name1-[(6-chloro-2-pyridinyl)amino]-3-methylpyrrole-2,5-dione
PubChem CID177168080
Molecular FormulaC10H8ClN3O2
Molecular Weight237.65 g/mol
Exact Mass237.03
IUPAC Name1-[(6-chloro-2-pyridinyl)amino]-3-methylpyrrole-2,5-dione
SMILESCC1=CC(=O)N(Nc2cccc(Cl)n2)C1=O
InChIInChI=1S/C10H8ClN3O2/c1-6-5-9(15)14(10(6)16)13-8-4-2-3-7(11)12-8/h2-5H,1H3,(H,12,13)
InChIKeyAAKUEZLZNYNRRY-UHFFFAOYSA-N
XLogP1.38
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.65
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 1-[(6-chloro-2-pyridinyl)amino]-3-methylpyrrole-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(6-Chloro-2-pyridinyl)-1-hydrazinecarboxamide
CID 324447
1-[[6-Chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-3,4-dimethyl-1H-pyrrole-2,5-dione
CID 25104471
N'-(6-chloropyridin-2-yl)cyclopropanecarbohydrazide
CID 1481420
2-chloro-N'-(6-chloropyridin-2-yl)propanehydrazide
CID 3632034
N'-(6-chloropyridin-2-yl)acetohydrazide
CID 324432
2-chloro-N'-(6-chloropyridin-2-yl)acetohydrazide
CID 324450
N'-(6-chloropyridin-2-yl)-2,2,2-trifluoroacetohydrazide
CID 1485932
N-(6-Chloropyridin-2-yl)-2,2-dimethylpropanamide
CID 13154248
2-Amino-6-chloropyridine-4-carbohydrazide
CID 284803
N-[6-chloro-5-(trifluoromethyl)pyridin-2-yl]-N-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)acetamide
CID 25104692
1-[[6-Chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-3-methylpyrrole-2,5-dione
CID 58230264
1-[[6-Chloro-5-(trifluoromethyl)-2-pyridinyl]amino]pyrrole-2,5-dione
CID 177167973

Frequently Asked Questions

What is the IUPAC name of 1-[(6-chloro-2-pyridinyl)amino]-3-methylpyrrole-2,5-dione?
The IUPAC name of 1-[(6-chloro-2-pyridinyl)amino]-3-methylpyrrole-2,5-dione (CID 177168080) is 1-[(6-chloro-2-pyridinyl)amino]-3-methylpyrrole-2,5-dione.
What is the SMILES notation for 1-[(6-chloro-2-pyridinyl)amino]-3-methylpyrrole-2,5-dione?
The canonical SMILES for 1-[(6-chloro-2-pyridinyl)amino]-3-methylpyrrole-2,5-dione is CC1=CC(=O)N(Nc2cccc(Cl)n2)C1=O.
What is the InChIKey of 1-[(6-chloro-2-pyridinyl)amino]-3-methylpyrrole-2,5-dione?
The InChIKey is AAKUEZLZNYNRRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN3O2/c1-6-5-9(15)14(10(6)16)13-8-4-2-3-7(11)12-8/h2-5H,1H3,(H,12,13).
What are the key properties of 1-[(6-chloro-2-pyridinyl)amino]-3-methylpyrrole-2,5-dione?
1-[(6-chloro-2-pyridinyl)amino]-3-methylpyrrole-2,5-dione has a molecular weight of 237.65 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-chloro-2-pyridinyl)amino]-3-methylpyrrole-2,5-dione is sourced from PubChem (CID 177168080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).