(4,5-dibromo-1H-pyrrol-2-yl)-(2,6-dihydroxyphenyl)methanone

C11H7Br2NO3 — CID 14653116

IUPAC(4,5-dibromo-1H-pyrrol-2-yl)-(2,6-dihydroxyphenyl)methanone
SMILESO=C(c1cc(Br)c(Br)[nH]1)c1c(O)cccc1O
InChIInChI=1S/C11H7Br2NO3/c12-5-4-6(14-11(5)13)10(17)9-7(15)2-1-3-8(9)16/h1-4,14-16H
InChIKeyDNKDEMFNHXAKQI-UHFFFAOYSA-N
MW360.99 g/mol
LogP3.18
Rot. Bonds2

About (4,5-dibromo-1H-pyrrol-2-yl)-(2,6-dihydroxyphenyl)methanone

(4,5-dibromo-1H-pyrrol-2-yl)-(2,6-dihydroxyphenyl)methanone (PubChem CID 14653116) has the molecular formula C11H7Br2NO3 and a molecular weight of 360.99 g/mol. Its IUPAC name is (4,5-dibromo-1H-pyrrol-2-yl)-(2,6-dihydroxyphenyl)methanone.

Molecular Properties

Compound Name(4,5-dibromo-1H-pyrrol-2-yl)-(2,6-dihydroxyphenyl)methanone
PubChem CID14653116
Molecular FormulaC11H7Br2NO3
Molecular Weight360.99 g/mol
Exact Mass358.88
IUPAC Name(4,5-dibromo-1H-pyrrol-2-yl)-(2,6-dihydroxyphenyl)methanone
SMILESO=C(c1cc(Br)c(Br)[nH]1)c1c(O)cccc1O
InChIInChI=1S/C11H7Br2NO3/c12-5-4-6(14-11(5)13)10(17)9-7(15)2-1-3-8(9)16/h1-4,14-16H
InChIKeyDNKDEMFNHXAKQI-UHFFFAOYSA-N
XLogP3.18
TPSA73.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.99
LogP ≤ 53.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4,5-dibromo-1H-pyrrol-2-yl)-(2,6-dihydroxyphenyl)methanone?
The IUPAC name of (4,5-dibromo-1H-pyrrol-2-yl)-(2,6-dihydroxyphenyl)methanone (CID 14653116) is (4,5-dibromo-1H-pyrrol-2-yl)-(2,6-dihydroxyphenyl)methanone.
What is the SMILES notation for (4,5-dibromo-1H-pyrrol-2-yl)-(2,6-dihydroxyphenyl)methanone?
The canonical SMILES for (4,5-dibromo-1H-pyrrol-2-yl)-(2,6-dihydroxyphenyl)methanone is O=C(c1cc(Br)c(Br)[nH]1)c1c(O)cccc1O.
What is the InChIKey of (4,5-dibromo-1H-pyrrol-2-yl)-(2,6-dihydroxyphenyl)methanone?
The InChIKey is DNKDEMFNHXAKQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Br2NO3/c12-5-4-6(14-11(5)13)10(17)9-7(15)2-1-3-8(9)16/h1-4,14-16H.
What are the key properties of (4,5-dibromo-1H-pyrrol-2-yl)-(2,6-dihydroxyphenyl)methanone?
(4,5-dibromo-1H-pyrrol-2-yl)-(2,6-dihydroxyphenyl)methanone has a molecular weight of 360.99 g/mol, XLogP of 3.18, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-dibromo-1H-pyrrol-2-yl)-(2,6-dihydroxyphenyl)methanone is sourced from PubChem (CID 14653116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).