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

C12H9Br2NO2 — CID 121001131

IUPAC(4,5-dibromo-1H-pyrrol-2-yl)-(2-methoxyphenyl)methanone
SMILESCOc1ccccc1C(=O)c1cc(Br)c(Br)[nH]1
InChIInChI=1S/C12H9Br2NO2/c1-17-10-5-3-2-4-7(10)11(16)9-6-8(13)12(14)15-9/h2-6,15H,1H3
InChIKeyCYLCCXLRDIOREX-UHFFFAOYSA-N
MW359.02 g/mol
LogP3.78
Rot. Bonds3

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

(4,5-dibromo-1H-pyrrol-2-yl)-(2-methoxyphenyl)methanone (PubChem CID 121001131) has the molecular formula C12H9Br2NO2 and a molecular weight of 359.02 g/mol. Its IUPAC name is (4,5-dibromo-1H-pyrrol-2-yl)-(2-methoxyphenyl)methanone.

Molecular Properties

Compound Name(4,5-dibromo-1H-pyrrol-2-yl)-(2-methoxyphenyl)methanone
PubChem CID121001131
Molecular FormulaC12H9Br2NO2
Molecular Weight359.02 g/mol
Exact Mass356.90
IUPAC Name(4,5-dibromo-1H-pyrrol-2-yl)-(2-methoxyphenyl)methanone
SMILESCOc1ccccc1C(=O)c1cc(Br)c(Br)[nH]1
InChIInChI=1S/C12H9Br2NO2/c1-17-10-5-3-2-4-7(10)11(16)9-6-8(13)12(14)15-9/h2-6,15H,1H3
InChIKeyCYLCCXLRDIOREX-UHFFFAOYSA-N
XLogP3.78
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.02
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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4-(2-methoxybenzoyl)-1H-pyrrole-2-carboxylic acid
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(3-bromofuran-2-yl)-(2-methoxyphenyl)methanone
CID 63942621
(3,4-dibromothiophen-2-yl)-(2-methoxyphenyl)methanone
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(2,3-dimethoxyphenyl)-(2-methoxyphenyl)methanone
CID 67592746
(3-bromo-4-methoxyphenyl)-[2-(difluoromethoxy)phenyl]methanone
CID 43339860
(3,4-dimethylphenyl)-(2-methoxyphenyl)methanone
CID 24722768
(2-methoxyphenyl)-(5-phenylmethoxy-1H-indol-2-yl)methanone
CID 10970353
9H-carbazol-3-yl-(2-methoxyphenyl)methanone
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CID 24722767

Frequently Asked Questions

What is the IUPAC name of (4,5-dibromo-1H-pyrrol-2-yl)-(2-methoxyphenyl)methanone?
The IUPAC name of (4,5-dibromo-1H-pyrrol-2-yl)-(2-methoxyphenyl)methanone (CID 121001131) is (4,5-dibromo-1H-pyrrol-2-yl)-(2-methoxyphenyl)methanone.
What is the SMILES notation for (4,5-dibromo-1H-pyrrol-2-yl)-(2-methoxyphenyl)methanone?
The canonical SMILES for (4,5-dibromo-1H-pyrrol-2-yl)-(2-methoxyphenyl)methanone is COc1ccccc1C(=O)c1cc(Br)c(Br)[nH]1.
What is the InChIKey of (4,5-dibromo-1H-pyrrol-2-yl)-(2-methoxyphenyl)methanone?
The InChIKey is CYLCCXLRDIOREX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Br2NO2/c1-17-10-5-3-2-4-7(10)11(16)9-6-8(13)12(14)15-9/h2-6,15H,1H3.
What are the key properties of (4,5-dibromo-1H-pyrrol-2-yl)-(2-methoxyphenyl)methanone?
(4,5-dibromo-1H-pyrrol-2-yl)-(2-methoxyphenyl)methanone has a molecular weight of 359.02 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-dibromo-1H-pyrrol-2-yl)-(2-methoxyphenyl)methanone is sourced from PubChem (CID 121001131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).