1-(2,5-dichloro-4-nitrophenyl)-2,5-dimethylpyrrole

C12H10Cl2N2O2 — CID 2794917

IUPAC1-(2,5-dichloro-4-nitrophenyl)-2,5-dimethylpyrrole
SMILESCc1ccc(C)n1-c1cc(Cl)c([N+](=O)[O-])cc1Cl
InChIInChI=1S/C12H10Cl2N2O2/c1-7-3-4-8(2)15(7)11-5-10(14)12(16(17)18)6-9(11)13/h3-6H,1-2H3
InChIKeyMLHGSKCNJTXMGV-UHFFFAOYSA-N
MW285.13 g/mol
LogP4.31
Rot. Bonds2

About 1-(2,5-dichloro-4-nitrophenyl)-2,5-dimethylpyrrole

1-(2,5-dichloro-4-nitrophenyl)-2,5-dimethylpyrrole (PubChem CID 2794917) has the molecular formula C12H10Cl2N2O2 and a molecular weight of 285.13 g/mol. Its IUPAC name is 1-(2,5-dichloro-4-nitrophenyl)-2,5-dimethylpyrrole.

Molecular Properties

Compound Name1-(2,5-dichloro-4-nitrophenyl)-2,5-dimethylpyrrole
PubChem CID2794917
Molecular FormulaC12H10Cl2N2O2
Molecular Weight285.13 g/mol
Exact Mass284.01
IUPAC Name1-(2,5-dichloro-4-nitrophenyl)-2,5-dimethylpyrrole
SMILESCc1ccc(C)n1-c1cc(Cl)c([N+](=O)[O-])cc1Cl
InChIInChI=1S/C12H10Cl2N2O2/c1-7-3-4-8(2)15(7)11-5-10(14)12(16(17)18)6-9(11)13/h3-6H,1-2H3
InChIKeyMLHGSKCNJTXMGV-UHFFFAOYSA-N
XLogP4.31
TPSA48.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.13
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(2,5-dichloro-4-nitrophenyl)piperazine
CID 165124690
3-(2,5-dichloro-4-nitrophenyl)-4-hydroxy-5-(2-methoxyphenyl)-1,3-oxazol-2-one
CID 90745310
1-(2-chloro-5-methylphenyl)-2,5-dimethylpyrrole
CID 107629535
N-[(4-chloro-3-nitrophenyl)methyl]-2,5-dimethylpyrrol-1-amine
CID 115558178
4-chloro-5-nitrobenzene-1,2-dicarbonitrile
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1,4-dichloro-2-(2,5-dichloro-4-nitrophenoxy)-5-nitrobenzene
CID 57162217
1-(5-chloro-2,4-dinitrophenyl)azepane
CID 2842391
N-[(3-chloro-4-nitrophenyl)methylideneamino]-4-(2,5-dimethylpyrrol-1-yl)benzamide
CID 4601175
1-(5-chloro-2-methyl-4-nitrophenyl)-5-methyltriazol-4-amine
CID 113439032
5-chloro-2-methyl-4-nitrobenzoyl chloride
CID 130894984
1-(5-chloro-2-methyl-4-nitrophenyl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168711652
2,5-dimethyl-1-(3-nitro-4-pyrrolidin-1-ylphenyl)pyrrole
CID 5013770

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichloro-4-nitrophenyl)-2,5-dimethylpyrrole?
The IUPAC name of 1-(2,5-dichloro-4-nitrophenyl)-2,5-dimethylpyrrole (CID 2794917) is 1-(2,5-dichloro-4-nitrophenyl)-2,5-dimethylpyrrole.
What is the SMILES notation for 1-(2,5-dichloro-4-nitrophenyl)-2,5-dimethylpyrrole?
The canonical SMILES for 1-(2,5-dichloro-4-nitrophenyl)-2,5-dimethylpyrrole is Cc1ccc(C)n1-c1cc(Cl)c([N+](=O)[O-])cc1Cl.
What is the InChIKey of 1-(2,5-dichloro-4-nitrophenyl)-2,5-dimethylpyrrole?
The InChIKey is MLHGSKCNJTXMGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N2O2/c1-7-3-4-8(2)15(7)11-5-10(14)12(16(17)18)6-9(11)13/h3-6H,1-2H3.
What are the key properties of 1-(2,5-dichloro-4-nitrophenyl)-2,5-dimethylpyrrole?
1-(2,5-dichloro-4-nitrophenyl)-2,5-dimethylpyrrole has a molecular weight of 285.13 g/mol, XLogP of 4.31, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichloro-4-nitrophenyl)-2,5-dimethylpyrrole is sourced from PubChem (CID 2794917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).