4-bromo-1-methylpyrrole-2-carboxamide

C6H7BrN2O — CID 43411153

IUPAC4-bromo-1-methylpyrrole-2-carboxamide
SMILESCn1cc(Br)cc1C(N)=O
InChIInChI=1S/C6H7BrN2O/c1-9-3-4(7)2-5(9)6(8)10/h2-3H,1H3,(H2,8,10)
InChIKeyVRSVVBLXMYZMRD-UHFFFAOYSA-N
MW203.04 g/mol
LogP0.89
Rot. Bonds1

About 4-bromo-1-methylpyrrole-2-carboxamide

4-bromo-1-methylpyrrole-2-carboxamide (PubChem CID 43411153) has the molecular formula C6H7BrN2O and a molecular weight of 203.04 g/mol. Its IUPAC name is 4-bromo-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-1-methylpyrrole-2-carboxamide
PubChem CID43411153
Molecular FormulaC6H7BrN2O
Molecular Weight203.04 g/mol
Exact Mass201.97
IUPAC Name4-bromo-1-methylpyrrole-2-carboxamide
SMILESCn1cc(Br)cc1C(N)=O
InChIInChI=1S/C6H7BrN2O/c1-9-3-4(7)2-5(9)6(8)10/h2-3H,1H3,(H2,8,10)
InChIKeyVRSVVBLXMYZMRD-UHFFFAOYSA-N
XLogP0.89
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.04
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-methylpyrrole-2-carboxamide?
The IUPAC name of 4-bromo-1-methylpyrrole-2-carboxamide (CID 43411153) is 4-bromo-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-1-methylpyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-1-methylpyrrole-2-carboxamide is Cn1cc(Br)cc1C(N)=O.
What is the InChIKey of 4-bromo-1-methylpyrrole-2-carboxamide?
The InChIKey is VRSVVBLXMYZMRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7BrN2O/c1-9-3-4(7)2-5(9)6(8)10/h2-3H,1H3,(H2,8,10).
What are the key properties of 4-bromo-1-methylpyrrole-2-carboxamide?
4-bromo-1-methylpyrrole-2-carboxamide has a molecular weight of 203.04 g/mol, XLogP of 0.89, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 43411153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).