4,5-dibromo-N-(methoxymethyl)-1H-pyrrole-2-carboxamide

C7H8Br2N2O2 — CID 640317

IUPAC4,5-dibromo-N-(methoxymethyl)-1H-pyrrole-2-carboxamide
SMILESCOCNC(=O)c1cc(Br)c(Br)[nH]1
InChIInChI=1S/C7H8Br2N2O2/c1-13-3-10-7(12)5-2-4(8)6(9)11-5/h2,11H,3H2,1H3,(H,10,12)
InChIKeyWUUXEVGYTLVDBQ-UHFFFAOYSA-N
MW311.96 g/mol
LogP1.87
Rot. Bonds3

About 4,5-dibromo-N-(methoxymethyl)-1H-pyrrole-2-carboxamide

4,5-dibromo-N-(methoxymethyl)-1H-pyrrole-2-carboxamide (PubChem CID 640317) has the molecular formula C7H8Br2N2O2 and a molecular weight of 311.96 g/mol. Its IUPAC name is 4,5-dibromo-N-(methoxymethyl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4,5-dibromo-N-(methoxymethyl)-1H-pyrrole-2-carboxamide
PubChem CID640317
Molecular FormulaC7H8Br2N2O2
Molecular Weight311.96 g/mol
Exact Mass309.90
IUPAC Name4,5-dibromo-N-(methoxymethyl)-1H-pyrrole-2-carboxamide
SMILESCOCNC(=O)c1cc(Br)c(Br)[nH]1
InChIInChI=1S/C7H8Br2N2O2/c1-13-3-10-7(12)5-2-4(8)6(9)11-5/h2,11H,3H2,1H3,(H,10,12)
InChIKeyWUUXEVGYTLVDBQ-UHFFFAOYSA-N
XLogP1.87
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.96
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,5-dibromo-N-(methoxymethyl)-1H-pyrrole-2-carboxamide?
The IUPAC name of 4,5-dibromo-N-(methoxymethyl)-1H-pyrrole-2-carboxamide (CID 640317) is 4,5-dibromo-N-(methoxymethyl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4,5-dibromo-N-(methoxymethyl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4,5-dibromo-N-(methoxymethyl)-1H-pyrrole-2-carboxamide is COCNC(=O)c1cc(Br)c(Br)[nH]1.
What is the InChIKey of 4,5-dibromo-N-(methoxymethyl)-1H-pyrrole-2-carboxamide?
The InChIKey is WUUXEVGYTLVDBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8Br2N2O2/c1-13-3-10-7(12)5-2-4(8)6(9)11-5/h2,11H,3H2,1H3,(H,10,12).
What are the key properties of 4,5-dibromo-N-(methoxymethyl)-1H-pyrrole-2-carboxamide?
4,5-dibromo-N-(methoxymethyl)-1H-pyrrole-2-carboxamide has a molecular weight of 311.96 g/mol, XLogP of 1.87, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dibromo-N-(methoxymethyl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 640317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).