3-chloro-4-(3-chloro-2-nitrophenyl)-1H-pyrrole;formamide

C11H9Cl2N3O3 — CID 173034791

IUPAC3-chloro-4-(3-chloro-2-nitrophenyl)-1H-pyrrole;formamide
SMILESNC=O.O=[N+]([O-])c1c(Cl)cccc1-c1c[nH]cc1Cl
InChIInChI=1S/C10H6Cl2N2O2.CH3NO/c11-8-3-1-2-6(10(8)14(15)16)7-4-13-5-9(7)12;2-1-3/h1-5,13H;1H,(H2,2,3)
InChIKeyZCBBZDJOXJTHLH-UHFFFAOYSA-N
MW302.12 g/mol
LogP3.00
Rot. Bonds2

About 3-chloro-4-(3-chloro-2-nitrophenyl)-1H-pyrrole;formamide

3-chloro-4-(3-chloro-2-nitrophenyl)-1H-pyrrole;formamide (PubChem CID 173034791) has the molecular formula C11H9Cl2N3O3 and a molecular weight of 302.12 g/mol. Its IUPAC name is 3-chloro-4-(3-chloro-2-nitrophenyl)-1H-pyrrole;formamide.

Molecular Properties

Compound Name3-chloro-4-(3-chloro-2-nitrophenyl)-1H-pyrrole;formamide
PubChem CID173034791
Molecular FormulaC11H9Cl2N3O3
Molecular Weight302.12 g/mol
Exact Mass301.00
IUPAC Name3-chloro-4-(3-chloro-2-nitrophenyl)-1H-pyrrole;formamide
SMILESNC=O.O=[N+]([O-])c1c(Cl)cccc1-c1c[nH]cc1Cl
InChIInChI=1S/C10H6Cl2N2O2.CH3NO/c11-8-3-1-2-6(10(8)14(15)16)7-4-13-5-9(7)12;2-1-3/h1-5,13H;1H,(H2,2,3)
InChIKeyZCBBZDJOXJTHLH-UHFFFAOYSA-N
XLogP3.00
TPSA102.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.12
LogP ≤ 53.00
H-Bond Donors ≤ 52
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

3-chloro-4-(3-chloro-2-nitrophenyl)-1H-pyrrole;3-oxohexanedial
CID 18538324
5-amino-4-oxopentanoic acid;3-chloro-4-(3-chloro-2-nitrophenyl)-1H-pyrrole
CID 22149640
3-chloro-4-(3-chloro-2-nitrophenyl)-1H-pyrrole;(E)-6-oxohept-3-enedioic acid
CID 173187537
3-chloro-4-(3-chloro-2-nitrophenyl)-1H-pyrrole;2,3,4,5-tetrahydropyridine-2-carboxylic acid
CID 173034759
3-(3-chloro-2-nitrophenyl)-1H-pyrrole
CID 11436010
3-chloro-4-(3-chloro-2-nitrophenyl)-1H-pyrrole;3-hydroxy-5-(hydroxymethyl)-2-methylpyridine-4-carbaldehyde;phosphoric acid
CID 22149642
1-(3-chloro-2-nitrophenyl)-2,3-difluorobenzene
CID 67429755
4-(3-chloro-2-nitrophenyl)-2,5-dimethyl-1H-pyrrole-3-carboxylic acid
CID 154182587
4-(3-chloro-2-nitrophenyl)phenol
CID 71044316
3-(3-chloro-2-nitrophenyl)phenol
CID 20816503
4-(3-chloro-2-nitrophenyl)-5-ethoxycarbonyl-2-methyl-1H-pyrrole-3-carboxylic acid
CID 157316589
(3-chloro-2-nitrophenyl)methanamine;hydrochloride
CID 155970925

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(3-chloro-2-nitrophenyl)-1H-pyrrole;formamide?
The IUPAC name of 3-chloro-4-(3-chloro-2-nitrophenyl)-1H-pyrrole;formamide (CID 173034791) is 3-chloro-4-(3-chloro-2-nitrophenyl)-1H-pyrrole;formamide.
What is the SMILES notation for 3-chloro-4-(3-chloro-2-nitrophenyl)-1H-pyrrole;formamide?
The canonical SMILES for 3-chloro-4-(3-chloro-2-nitrophenyl)-1H-pyrrole;formamide is NC=O.O=[N+]([O-])c1c(Cl)cccc1-c1c[nH]cc1Cl.
What is the InChIKey of 3-chloro-4-(3-chloro-2-nitrophenyl)-1H-pyrrole;formamide?
The InChIKey is ZCBBZDJOXJTHLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Cl2N2O2.CH3NO/c11-8-3-1-2-6(10(8)14(15)16)7-4-13-5-9(7)12;2-1-3/h1-5,13H;1H,(H2,2,3).
What are the key properties of 3-chloro-4-(3-chloro-2-nitrophenyl)-1H-pyrrole;formamide?
3-chloro-4-(3-chloro-2-nitrophenyl)-1H-pyrrole;formamide has a molecular weight of 302.12 g/mol, XLogP of 3.00, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(3-chloro-2-nitrophenyl)-1H-pyrrole;formamide is sourced from PubChem (CID 173034791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).