3-(2,4-dichlorophenyl)-4-nitro-1H-pyrrole-2-carbaldehyde

C11H6Cl2N2O3 — CID 15033119

IUPAC3-(2,4-dichlorophenyl)-4-nitro-1H-pyrrole-2-carbaldehyde
SMILESO=Cc1[nH]cc([N+](=O)[O-])c1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C11H6Cl2N2O3/c12-6-1-2-7(8(13)3-6)11-9(5-16)14-4-10(11)15(17)18/h1-5,14H
InChIKeyMZCCCGJCUVWFFO-UHFFFAOYSA-N
MW285.09 g/mol
LogP3.71
Rot. Bonds3

About 3-(2,4-dichlorophenyl)-4-nitro-1H-pyrrole-2-carbaldehyde

3-(2,4-dichlorophenyl)-4-nitro-1H-pyrrole-2-carbaldehyde (PubChem CID 15033119) has the molecular formula C11H6Cl2N2O3 and a molecular weight of 285.09 g/mol. Its IUPAC name is 3-(2,4-dichlorophenyl)-4-nitro-1H-pyrrole-2-carbaldehyde.

Molecular Properties

Compound Name3-(2,4-dichlorophenyl)-4-nitro-1H-pyrrole-2-carbaldehyde
PubChem CID15033119
Molecular FormulaC11H6Cl2N2O3
Molecular Weight285.09 g/mol
Exact Mass283.98
IUPAC Name3-(2,4-dichlorophenyl)-4-nitro-1H-pyrrole-2-carbaldehyde
SMILESO=Cc1[nH]cc([N+](=O)[O-])c1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C11H6Cl2N2O3/c12-6-1-2-7(8(13)3-6)11-9(5-16)14-4-10(11)15(17)18/h1-5,14H
InChIKeyMZCCCGJCUVWFFO-UHFFFAOYSA-N
XLogP3.71
TPSA76.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.09
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', '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

2-(2,4-dichlorophenyl)-3-nitrothiophene
CID 46210613
3-(4-methoxyphenyl)-4-nitro-1H-pyrrole-2-carbaldehyde
CID 10977736
4-chloro-2-(2,5-dichlorophenyl)-1-nitrobenzene
CID 19878908
4-chloro-1-(2-chlorophenyl)-2-nitrobenzene
CID 175258433
3-(2,4-dichlorophenyl)-4-fluoro-2-hydroxybenzaldehyde
CID 86608680
2-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-3-nitro-5-(trifluoromethyl)-1H-pyrrole
CID 19746747
2-(5-chloro-2-nitrophenyl)benzaldehyde
CID 3014581
3-nitro-5-(2,4,6-trichlorophenyl)-1H-pyridin-2-one
CID 133092307
2-(2,4-dichlorophenyl)-4-nitroquinoline
CID 101421541
CID 58762875
CID 58762875
2-hydroxy-4-nitro-1H-pyrrole-3-carbaldehyde
CID 135968012
5-(2,4-dichlorophenyl)benzene-1,3-dicarbaldehyde
CID 167311958

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichlorophenyl)-4-nitro-1H-pyrrole-2-carbaldehyde?
The IUPAC name of 3-(2,4-dichlorophenyl)-4-nitro-1H-pyrrole-2-carbaldehyde (CID 15033119) is 3-(2,4-dichlorophenyl)-4-nitro-1H-pyrrole-2-carbaldehyde.
What is the SMILES notation for 3-(2,4-dichlorophenyl)-4-nitro-1H-pyrrole-2-carbaldehyde?
The canonical SMILES for 3-(2,4-dichlorophenyl)-4-nitro-1H-pyrrole-2-carbaldehyde is O=Cc1[nH]cc([N+](=O)[O-])c1-c1ccc(Cl)cc1Cl.
What is the InChIKey of 3-(2,4-dichlorophenyl)-4-nitro-1H-pyrrole-2-carbaldehyde?
The InChIKey is MZCCCGJCUVWFFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Cl2N2O3/c12-6-1-2-7(8(13)3-6)11-9(5-16)14-4-10(11)15(17)18/h1-5,14H.
What are the key properties of 3-(2,4-dichlorophenyl)-4-nitro-1H-pyrrole-2-carbaldehyde?
3-(2,4-dichlorophenyl)-4-nitro-1H-pyrrole-2-carbaldehyde has a molecular weight of 285.09 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dichlorophenyl)-4-nitro-1H-pyrrole-2-carbaldehyde is sourced from PubChem (CID 15033119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).