4-bromo-N-methoxy-1H-pyrrole-2-carboxamide

C6H7BrN2O2 — CID 103608505

IUPAC4-bromo-N-methoxy-1H-pyrrole-2-carboxamide
SMILESCONC(=O)c1cc(Br)c[nH]1
InChIInChI=1S/C6H7BrN2O2/c1-11-9-6(10)5-2-4(7)3-8-5/h2-3,8H,1H3,(H,9,10)
InChIKeyIMWLFBXELNDYRZ-UHFFFAOYSA-N
MW219.04 g/mol
LogP1.07
Rot. Bonds2

About 4-bromo-N-methoxy-1H-pyrrole-2-carboxamide

4-bromo-N-methoxy-1H-pyrrole-2-carboxamide (PubChem CID 103608505) has the molecular formula C6H7BrN2O2 and a molecular weight of 219.04 g/mol. Its IUPAC name is 4-bromo-N-methoxy-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-methoxy-1H-pyrrole-2-carboxamide
PubChem CID103608505
Molecular FormulaC6H7BrN2O2
Molecular Weight219.04 g/mol
Exact Mass217.97
IUPAC Name4-bromo-N-methoxy-1H-pyrrole-2-carboxamide
SMILESCONC(=O)c1cc(Br)c[nH]1
InChIInChI=1S/C6H7BrN2O2/c1-11-9-6(10)5-2-4(7)3-8-5/h2-3,8H,1H3,(H,9,10)
InChIKeyIMWLFBXELNDYRZ-UHFFFAOYSA-N
XLogP1.07
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.04
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-N'-(3-methylbutanoyl)-1H-pyrrole-2-carbohydrazide
CID 18121265
4-bromo-N-(2-chloroacetyl)-1H-pyrrole-2-carboxamide
CID 28893206
4-bromo-N-[(1S,2S,3R,4R)-2-[(4-bromo-1H-pyrrole-2-carbonyl)amino]-3,4-bis(trimethoxymethyl)cyclobutyl]-1H-pyrrole-2-carboxamide
CID 135007669
tert-butyl N-(4-bromo-1H-pyrrole-2-carbonyl)carbamate
CID 102470068
ethyl 4-bromo-1H-pyrrole-2-carboxylate
CID 5324607
4-bromo-N-[3-(methylamino)-3-oxopropyl]-1H-pyrrole-2-carboxamide
CID 47356127
4-bromo-N-[2-(dimethylcarbamoylamino)ethyl]-1H-pyrrole-2-carboxamide
CID 83120766
4-bromo-N-(2-hydroxy-2-methylpropyl)-1H-pyrrole-2-carboxamide
CID 65111935
2-[(4-bromo-1H-pyrrole-2-carbonyl)amino]-4-methoxybutanoic acid
CID 62480168
4-bromo-N-(4-bromo-3-methoxyphenyl)-1H-pyrrole-2-carboxamide
CID 79421457
N-(3-aminopropyl)-4-bromo-1H-pyrrole-2-carboxamide
CID 61249115
methyl 2-[(4-bromo-1H-pyrrole-2-carbonyl)amino]-2-methylpentanoate
CID 43623906

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-methoxy-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-methoxy-1H-pyrrole-2-carboxamide (CID 103608505) is 4-bromo-N-methoxy-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-methoxy-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-methoxy-1H-pyrrole-2-carboxamide is CONC(=O)c1cc(Br)c[nH]1.
What is the InChIKey of 4-bromo-N-methoxy-1H-pyrrole-2-carboxamide?
The InChIKey is IMWLFBXELNDYRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7BrN2O2/c1-11-9-6(10)5-2-4(7)3-8-5/h2-3,8H,1H3,(H,9,10).
What are the key properties of 4-bromo-N-methoxy-1H-pyrrole-2-carboxamide?
4-bromo-N-methoxy-1H-pyrrole-2-carboxamide has a molecular weight of 219.04 g/mol, XLogP of 1.07, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-methoxy-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 103608505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).