(5-bromo-1H-pyrrol-2-yl)-(3,5-dibromophenyl)methanone

C11H6Br3NO — CID 68535238

IUPAC(5-bromo-1H-pyrrol-2-yl)-(3,5-dibromophenyl)methanone
SMILESO=C(c1cc(Br)cc(Br)c1)c1ccc(Br)[nH]1
InChIInChI=1S/C11H6Br3NO/c12-7-3-6(4-8(13)5-7)11(16)9-1-2-10(14)15-9/h1-5,15H
InChIKeyHYOVZOUHGOGAAC-UHFFFAOYSA-N
MW407.89 g/mol
LogP4.53
Rot. Bonds2

About (5-bromo-1H-pyrrol-2-yl)-(3,5-dibromophenyl)methanone

(5-bromo-1H-pyrrol-2-yl)-(3,5-dibromophenyl)methanone (PubChem CID 68535238) has the molecular formula C11H6Br3NO and a molecular weight of 407.89 g/mol. Its IUPAC name is (5-bromo-1H-pyrrol-2-yl)-(3,5-dibromophenyl)methanone.

Molecular Properties

Compound Name(5-bromo-1H-pyrrol-2-yl)-(3,5-dibromophenyl)methanone
PubChem CID68535238
Molecular FormulaC11H6Br3NO
Molecular Weight407.89 g/mol
Exact Mass404.80
IUPAC Name(5-bromo-1H-pyrrol-2-yl)-(3,5-dibromophenyl)methanone
SMILESO=C(c1cc(Br)cc(Br)c1)c1ccc(Br)[nH]1
InChIInChI=1S/C11H6Br3NO/c12-7-3-6(4-8(13)5-7)11(16)9-1-2-10(14)15-9/h1-5,15H
InChIKeyHYOVZOUHGOGAAC-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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Related Compounds

(5-bromo-1H-pyrrol-2-yl)-(1H-pyrrol-3-yl)methanone
CID 96590395
1-(5-bromo-1H-pyrrol-2-yl)propan-1-one
CID 82374714
(3,5-dibromophenyl)-pyridin-4-ylmethanone
CID 19711365
(3,5-dibromophenyl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanone
CID 114023489
5-bromo-N-methyl-1H-pyrrole-2-carboxamide
CID 45104480
(5-bromo-3-pyridinyl)-(5-ethyl-1H-pyrrol-2-yl)methanone
CID 68801466
2-(3,5-dibromophenyl)-2-oxoacetic acid
CID 175783678
(3,5-dibromophenyl)-(2,3,4,5,6-pentamethylphenyl)methanone
CID 107979582
5-(3-hydroxybenzoyl)-1H-pyrrole-2-carboxylic acid
CID 84726361
(3-bromophenyl)-(4,5-dibromo-1H-pyrrol-2-yl)methanone
CID 134110047
[3-bromo-5-(3,5-dihydroxybenzoyl)phenyl]-(3,5-dihydroxyphenyl)methanone
CID 86088620
4-(3-bromo-5-chlorobenzoyl)-1H-pyrrole-2-carboxylic acid
CID 107949739

Frequently Asked Questions

What is the IUPAC name of (5-bromo-1H-pyrrol-2-yl)-(3,5-dibromophenyl)methanone?
The IUPAC name of (5-bromo-1H-pyrrol-2-yl)-(3,5-dibromophenyl)methanone (CID 68535238) is (5-bromo-1H-pyrrol-2-yl)-(3,5-dibromophenyl)methanone.
What is the SMILES notation for (5-bromo-1H-pyrrol-2-yl)-(3,5-dibromophenyl)methanone?
The canonical SMILES for (5-bromo-1H-pyrrol-2-yl)-(3,5-dibromophenyl)methanone is O=C(c1cc(Br)cc(Br)c1)c1ccc(Br)[nH]1.
What is the InChIKey of (5-bromo-1H-pyrrol-2-yl)-(3,5-dibromophenyl)methanone?
The InChIKey is HYOVZOUHGOGAAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Br3NO/c12-7-3-6(4-8(13)5-7)11(16)9-1-2-10(14)15-9/h1-5,15H.
What are the key properties of (5-bromo-1H-pyrrol-2-yl)-(3,5-dibromophenyl)methanone?
(5-bromo-1H-pyrrol-2-yl)-(3,5-dibromophenyl)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 (5-bromo-1H-pyrrol-2-yl)-(3,5-dibromophenyl)methanone is sourced from PubChem (CID 68535238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).