3-bromo-5-methyl-4H-furo[3,2-b]pyrrole

C7H6BrNO — CID 59683343

IUPAC3-bromo-5-methyl-4H-furo[3,2-b]pyrrole
SMILESCc1cc2occ(Br)c2[nH]1
InChIInChI=1S/C7H6BrNO/c1-4-2-6-7(9-4)5(8)3-10-6/h2-3,9H,1H3
InChIKeySOQAVSZBRXJHRP-UHFFFAOYSA-N
MW200.03 g/mol
LogP2.83
Rot. Bonds

About 3-bromo-5-methyl-4H-furo[3,2-b]pyrrole

3-bromo-5-methyl-4H-furo[3,2-b]pyrrole (PubChem CID 59683343) has the molecular formula C7H6BrNO and a molecular weight of 200.03 g/mol. Its IUPAC name is 3-bromo-5-methyl-4H-furo[3,2-b]pyrrole.

Molecular Properties

Compound Name3-bromo-5-methyl-4H-furo[3,2-b]pyrrole
PubChem CID59683343
Molecular FormulaC7H6BrNO
Molecular Weight200.03 g/mol
Exact Mass198.96
IUPAC Name3-bromo-5-methyl-4H-furo[3,2-b]pyrrole
SMILESCc1cc2occ(Br)c2[nH]1
InChIInChI=1S/C7H6BrNO/c1-4-2-6-7(9-4)5(8)3-10-6/h2-3,9H,1H3
InChIKeySOQAVSZBRXJHRP-UHFFFAOYSA-N
XLogP2.83
TPSA28.93 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.03
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-methyl-4H-furo[3,2-b]pyrrole?
The IUPAC name of 3-bromo-5-methyl-4H-furo[3,2-b]pyrrole (CID 59683343) is 3-bromo-5-methyl-4H-furo[3,2-b]pyrrole.
What is the SMILES notation for 3-bromo-5-methyl-4H-furo[3,2-b]pyrrole?
The canonical SMILES for 3-bromo-5-methyl-4H-furo[3,2-b]pyrrole is Cc1cc2occ(Br)c2[nH]1.
What is the InChIKey of 3-bromo-5-methyl-4H-furo[3,2-b]pyrrole?
The InChIKey is SOQAVSZBRXJHRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrNO/c1-4-2-6-7(9-4)5(8)3-10-6/h2-3,9H,1H3.
What are the key properties of 3-bromo-5-methyl-4H-furo[3,2-b]pyrrole?
3-bromo-5-methyl-4H-furo[3,2-b]pyrrole has a molecular weight of 200.03 g/mol, XLogP of 2.83, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-methyl-4H-furo[3,2-b]pyrrole is sourced from PubChem (CID 59683343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).