(3-bromophenyl)-(4,5-dibromo-1H-pyrrol-2-yl)methanone

C11H6Br3NO — CID 134110047

IUPAC(3-bromophenyl)-(4,5-dibromo-1H-pyrrol-2-yl)methanone
SMILESO=C(c1cccc(Br)c1)c1cc(Br)c(Br)[nH]1
InChIInChI=1S/C11H6Br3NO/c12-7-3-1-2-6(4-7)10(16)9-5-8(13)11(14)15-9/h1-5,15H
InChIKeyLRFWOBKDAYRIMA-UHFFFAOYSA-N
MW407.89 g/mol
LogP4.53
Rot. Bonds2

About (3-bromophenyl)-(4,5-dibromo-1H-pyrrol-2-yl)methanone

(3-bromophenyl)-(4,5-dibromo-1H-pyrrol-2-yl)methanone (PubChem CID 134110047) has the molecular formula C11H6Br3NO and a molecular weight of 407.89 g/mol. Its IUPAC name is (3-bromophenyl)-(4,5-dibromo-1H-pyrrol-2-yl)methanone.

Molecular Properties

Compound Name(3-bromophenyl)-(4,5-dibromo-1H-pyrrol-2-yl)methanone
PubChem CID134110047
Molecular FormulaC11H6Br3NO
Molecular Weight407.89 g/mol
Exact Mass404.80
IUPAC Name(3-bromophenyl)-(4,5-dibromo-1H-pyrrol-2-yl)methanone
SMILESO=C(c1cccc(Br)c1)c1cc(Br)c(Br)[nH]1
InChIInChI=1S/C11H6Br3NO/c12-7-3-1-2-6(4-7)10(16)9-5-8(13)11(14)15-9/h1-5,15H
InChIKeyLRFWOBKDAYRIMA-UHFFFAOYSA-N
XLogP4.53
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.89
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3-bromophenyl)-(4,5-dibromo-1H-pyrrol-2-yl)methanone?
The IUPAC name of (3-bromophenyl)-(4,5-dibromo-1H-pyrrol-2-yl)methanone (CID 134110047) is (3-bromophenyl)-(4,5-dibromo-1H-pyrrol-2-yl)methanone.
What is the SMILES notation for (3-bromophenyl)-(4,5-dibromo-1H-pyrrol-2-yl)methanone?
The canonical SMILES for (3-bromophenyl)-(4,5-dibromo-1H-pyrrol-2-yl)methanone is O=C(c1cccc(Br)c1)c1cc(Br)c(Br)[nH]1.
What is the InChIKey of (3-bromophenyl)-(4,5-dibromo-1H-pyrrol-2-yl)methanone?
The InChIKey is LRFWOBKDAYRIMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Br3NO/c12-7-3-1-2-6(4-7)10(16)9-5-8(13)11(14)15-9/h1-5,15H.
What are the key properties of (3-bromophenyl)-(4,5-dibromo-1H-pyrrol-2-yl)methanone?
(3-bromophenyl)-(4,5-dibromo-1H-pyrrol-2-yl)methanone has a molecular weight of 407.89 g/mol, XLogP of 4.53, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromophenyl)-(4,5-dibromo-1H-pyrrol-2-yl)methanone is sourced from PubChem (CID 134110047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).