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

C11H7Br2NO — CID 12915917

IUPAC(4,5-dibromo-1H-pyrrol-2-yl)-phenylmethanone
SMILESO=C(c1ccccc1)c1cc(Br)c(Br)[nH]1
InChIInChI=1S/C11H7Br2NO/c12-8-6-9(14-11(8)13)10(15)7-4-2-1-3-5-7/h1-6,14H
InChIKeyZTJSJDHXCJVYCI-UHFFFAOYSA-N
MW328.99 g/mol
LogP3.77
Rot. Bonds2

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

(4,5-dibromo-1H-pyrrol-2-yl)-phenylmethanone (PubChem CID 12915917) has the molecular formula C11H7Br2NO and a molecular weight of 328.99 g/mol. Its IUPAC name is (4,5-dibromo-1H-pyrrol-2-yl)-phenylmethanone.

Molecular Properties

Compound Name(4,5-dibromo-1H-pyrrol-2-yl)-phenylmethanone
PubChem CID12915917
Molecular FormulaC11H7Br2NO
Molecular Weight328.99 g/mol
Exact Mass326.89
IUPAC Name(4,5-dibromo-1H-pyrrol-2-yl)-phenylmethanone
SMILESO=C(c1ccccc1)c1cc(Br)c(Br)[nH]1
InChIInChI=1S/C11H7Br2NO/c12-8-6-9(14-11(8)13)10(15)7-4-2-1-3-5-7/h1-6,14H
InChIKeyZTJSJDHXCJVYCI-UHFFFAOYSA-N
XLogP3.77
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.99
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4,5-dibromo-1H-pyrrol-2-yl)-phenylmethanone?
The IUPAC name of (4,5-dibromo-1H-pyrrol-2-yl)-phenylmethanone (CID 12915917) is (4,5-dibromo-1H-pyrrol-2-yl)-phenylmethanone.
What is the SMILES notation for (4,5-dibromo-1H-pyrrol-2-yl)-phenylmethanone?
The canonical SMILES for (4,5-dibromo-1H-pyrrol-2-yl)-phenylmethanone is O=C(c1ccccc1)c1cc(Br)c(Br)[nH]1.
What is the InChIKey of (4,5-dibromo-1H-pyrrol-2-yl)-phenylmethanone?
The InChIKey is ZTJSJDHXCJVYCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Br2NO/c12-8-6-9(14-11(8)13)10(15)7-4-2-1-3-5-7/h1-6,14H.
What are the key properties of (4,5-dibromo-1H-pyrrol-2-yl)-phenylmethanone?
(4,5-dibromo-1H-pyrrol-2-yl)-phenylmethanone has a molecular weight of 328.99 g/mol, XLogP of 3.77, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-dibromo-1H-pyrrol-2-yl)-phenylmethanone is sourced from PubChem (CID 12915917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).