(3,5-dichloro-2-hydroxyphenyl)-(1H-pyrrol-3-yl)methanone

C11H7Cl2NO2 — CID 11065021

IUPAC(3,5-dichloro-2-hydroxyphenyl)-(1H-pyrrol-3-yl)methanone
SMILESO=C(c1cc[nH]c1)c1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C11H7Cl2NO2/c12-7-3-8(11(16)9(13)4-7)10(15)6-1-2-14-5-6/h1-5,14,16H
InChIKeyIZDOQGYHKKJIKV-UHFFFAOYSA-N
MW256.09 g/mol
LogP3.26
Rot. Bonds2

About (3,5-dichloro-2-hydroxyphenyl)-(1H-pyrrol-3-yl)methanone

(3,5-dichloro-2-hydroxyphenyl)-(1H-pyrrol-3-yl)methanone (PubChem CID 11065021) has the molecular formula C11H7Cl2NO2 and a molecular weight of 256.09 g/mol. Its IUPAC name is (3,5-dichloro-2-hydroxyphenyl)-(1H-pyrrol-3-yl)methanone.

Molecular Properties

Compound Name(3,5-dichloro-2-hydroxyphenyl)-(1H-pyrrol-3-yl)methanone
PubChem CID11065021
Molecular FormulaC11H7Cl2NO2
Molecular Weight256.09 g/mol
Exact Mass254.99
IUPAC Name(3,5-dichloro-2-hydroxyphenyl)-(1H-pyrrol-3-yl)methanone
SMILESO=C(c1cc[nH]c1)c1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C11H7Cl2NO2/c12-7-3-8(11(16)9(13)4-7)10(15)6-1-2-14-5-6/h1-5,14,16H
InChIKeyIZDOQGYHKKJIKV-UHFFFAOYSA-N
XLogP3.26
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.09
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3,5-dichloro-2-hydroxyphenyl)-(1H-pyrrol-3-yl)methanone?
The IUPAC name of (3,5-dichloro-2-hydroxyphenyl)-(1H-pyrrol-3-yl)methanone (CID 11065021) is (3,5-dichloro-2-hydroxyphenyl)-(1H-pyrrol-3-yl)methanone.
What is the SMILES notation for (3,5-dichloro-2-hydroxyphenyl)-(1H-pyrrol-3-yl)methanone?
The canonical SMILES for (3,5-dichloro-2-hydroxyphenyl)-(1H-pyrrol-3-yl)methanone is O=C(c1cc[nH]c1)c1cc(Cl)cc(Cl)c1O.
What is the InChIKey of (3,5-dichloro-2-hydroxyphenyl)-(1H-pyrrol-3-yl)methanone?
The InChIKey is IZDOQGYHKKJIKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Cl2NO2/c12-7-3-8(11(16)9(13)4-7)10(15)6-1-2-14-5-6/h1-5,14,16H.
What are the key properties of (3,5-dichloro-2-hydroxyphenyl)-(1H-pyrrol-3-yl)methanone?
(3,5-dichloro-2-hydroxyphenyl)-(1H-pyrrol-3-yl)methanone has a molecular weight of 256.09 g/mol, XLogP of 3.26, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dichloro-2-hydroxyphenyl)-(1H-pyrrol-3-yl)methanone is sourced from PubChem (CID 11065021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).