3,4-dichloro-1-(4-methyl-3-nitro-2-pyridinyl)pyrrole-2,5-dione

C10H5Cl2N3O4 — CID 121216211

IUPAC3,4-dichloro-1-(4-methyl-3-nitro-2-pyridinyl)pyrrole-2,5-dione
SMILESCc1ccnc(N2C(=O)C(Cl)=C(Cl)C2=O)c1[N+](=O)[O-]
InChIInChI=1S/C10H5Cl2N3O4/c1-4-2-3-13-8(7(4)15(18)19)14-9(16)5(11)6(12)10(14)17/h2-3H,1H3
InChIKeyBDAHAFUJNREMTR-UHFFFAOYSA-N
MW302.07 g/mol
LogP1.86
Rot. Bonds2

About 3,4-dichloro-1-(4-methyl-3-nitro-2-pyridinyl)pyrrole-2,5-dione

3,4-dichloro-1-(4-methyl-3-nitro-2-pyridinyl)pyrrole-2,5-dione (PubChem CID 121216211) has the molecular formula C10H5Cl2N3O4 and a molecular weight of 302.07 g/mol. Its IUPAC name is 3,4-dichloro-1-(4-methyl-3-nitro-2-pyridinyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3,4-dichloro-1-(4-methyl-3-nitro-2-pyridinyl)pyrrole-2,5-dione
PubChem CID121216211
Molecular FormulaC10H5Cl2N3O4
Molecular Weight302.07 g/mol
Exact Mass300.97
IUPAC Name3,4-dichloro-1-(4-methyl-3-nitro-2-pyridinyl)pyrrole-2,5-dione
SMILESCc1ccnc(N2C(=O)C(Cl)=C(Cl)C2=O)c1[N+](=O)[O-]
InChIInChI=1S/C10H5Cl2N3O4/c1-4-2-3-13-8(7(4)15(18)19)14-9(16)5(11)6(12)10(14)17/h2-3H,1H3
InChIKeyBDAHAFUJNREMTR-UHFFFAOYSA-N
XLogP1.86
TPSA93.41 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.07
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

1-(4-methyl-3-nitro-2-pyridinyl)piperidine-2,6-dione
CID 121223866
4-methyl-3-nitro-2-pyrrol-1-ylpyridine
CID 14222918
(4-methyl-3-nitro-2-pyridinyl)methanol
CID 119088266
1-(4-methyl-3-nitro-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714620
1-(4-methyl-3-nitro-2-pyridinyl)-4-(1H-1,2,4-triazol-5-yl)piperazine
CID 126823469
2-[3-hydroxy-1-(4-methyl-3-nitro-2-pyridinyl)azetidin-3-yl]acetonitrile
CID 133497748
1-chloro-2,4-dimethyl-3-nitrobenzene
CID 20508440
[1-(4-methyl-3-nitro-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168676216
1,4-dimethyl-2,3-dinitrobenzene
CID 3916406
2-(4-methyl-3-nitro-2-pyridinyl)-7-nitro-3,4-dihydro-1H-isoquinoline
CID 133350154
1-(4-methyl-3-nitro-2-pyridinyl)-3-methylsulfanylazepane
CID 133394967
1,1-dimethyl-2-(4-methyl-3-nitro-2-pyridinyl)hydrazine
CID 83025448

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-1-(4-methyl-3-nitro-2-pyridinyl)pyrrole-2,5-dione?
The IUPAC name of 3,4-dichloro-1-(4-methyl-3-nitro-2-pyridinyl)pyrrole-2,5-dione (CID 121216211) is 3,4-dichloro-1-(4-methyl-3-nitro-2-pyridinyl)pyrrole-2,5-dione.
What is the SMILES notation for 3,4-dichloro-1-(4-methyl-3-nitro-2-pyridinyl)pyrrole-2,5-dione?
The canonical SMILES for 3,4-dichloro-1-(4-methyl-3-nitro-2-pyridinyl)pyrrole-2,5-dione is Cc1ccnc(N2C(=O)C(Cl)=C(Cl)C2=O)c1[N+](=O)[O-].
What is the InChIKey of 3,4-dichloro-1-(4-methyl-3-nitro-2-pyridinyl)pyrrole-2,5-dione?
The InChIKey is BDAHAFUJNREMTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5Cl2N3O4/c1-4-2-3-13-8(7(4)15(18)19)14-9(16)5(11)6(12)10(14)17/h2-3H,1H3.
What are the key properties of 3,4-dichloro-1-(4-methyl-3-nitro-2-pyridinyl)pyrrole-2,5-dione?
3,4-dichloro-1-(4-methyl-3-nitro-2-pyridinyl)pyrrole-2,5-dione has a molecular weight of 302.07 g/mol, XLogP of 1.86, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-1-(4-methyl-3-nitro-2-pyridinyl)pyrrole-2,5-dione is sourced from PubChem (CID 121216211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).