2-(3,5-dichloro-2-methoxyphenyl)-1H-pyrrole

C11H9Cl2NO — CID 14431148

IUPAC2-(3,5-dichloro-2-methoxyphenyl)-1H-pyrrole
SMILESCOc1c(Cl)cc(Cl)cc1-c1ccc[nH]1
InChIInChI=1S/C11H9Cl2NO/c1-15-11-8(10-3-2-4-14-10)5-7(12)6-9(11)13/h2-6,14H,1H3
InChIKeyJEEMPCKNKFKDOD-UHFFFAOYSA-N
MW242.11 g/mol
LogP4.00
Rot. Bonds2

About 2-(3,5-dichloro-2-methoxyphenyl)-1H-pyrrole

2-(3,5-dichloro-2-methoxyphenyl)-1H-pyrrole (PubChem CID 14431148) has the molecular formula C11H9Cl2NO and a molecular weight of 242.11 g/mol. Its IUPAC name is 2-(3,5-dichloro-2-methoxyphenyl)-1H-pyrrole.

Molecular Properties

Compound Name2-(3,5-dichloro-2-methoxyphenyl)-1H-pyrrole
PubChem CID14431148
Molecular FormulaC11H9Cl2NO
Molecular Weight242.11 g/mol
Exact Mass241.01
IUPAC Name2-(3,5-dichloro-2-methoxyphenyl)-1H-pyrrole
SMILESCOc1c(Cl)cc(Cl)cc1-c1ccc[nH]1
InChIInChI=1S/C11H9Cl2NO/c1-15-11-8(10-3-2-4-14-10)5-7(12)6-9(11)13/h2-6,14H,1H3
InChIKeyJEEMPCKNKFKDOD-UHFFFAOYSA-N
XLogP4.00
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.11
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[3,5-dichloro-2-[(R)-phenyl-[(3S)-pyrrolidin-3-yl]methoxy]phenyl]pyridine
CID 71716486
5-(4-chloro-2-methylphenoxy)-2-[(E)-2-(1H-pyrrol-2-yl)ethenyl]pyran-4-one
CID 50943768
2-(2-methoxyphenyl)-1H-pyrrole
CID 11126760
2,3,4-trichloro-5-(3,5-dichloro-2-methoxyphenyl)-1H-pyrrole
CID 44518698
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CID 21736698
2-(2-Methoxy-benzyl)-1h-pyrrole
CID 12872044
3-chloro-2-(4-methoxyphenyl)-1H-pyrrole
CID 85724425
2-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrole
CID 68346906
(3,5-Dichloro-2-methoxyphenyl)(1H-pyrrol-2-yl)methanone
CID 23659243
2-(3,5-Dichloro-4-methoxyphenyl)pyridine
CID 135075623
(1S)-1-(5-chloro-2-methoxyphenyl)-3-[6-(trifluoromethyl)-3-pyridinyl]propan-1-amine
CID 141213805
(1R)-1-(5-chloro-2-methoxyphenyl)-3-[6-(trifluoromethyl)-3-pyridinyl]propan-1-amine
CID 141213856

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dichloro-2-methoxyphenyl)-1H-pyrrole?
The IUPAC name of 2-(3,5-dichloro-2-methoxyphenyl)-1H-pyrrole (CID 14431148) is 2-(3,5-dichloro-2-methoxyphenyl)-1H-pyrrole.
What is the SMILES notation for 2-(3,5-dichloro-2-methoxyphenyl)-1H-pyrrole?
The canonical SMILES for 2-(3,5-dichloro-2-methoxyphenyl)-1H-pyrrole is COc1c(Cl)cc(Cl)cc1-c1ccc[nH]1.
What is the InChIKey of 2-(3,5-dichloro-2-methoxyphenyl)-1H-pyrrole?
The InChIKey is JEEMPCKNKFKDOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2NO/c1-15-11-8(10-3-2-4-14-10)5-7(12)6-9(11)13/h2-6,14H,1H3.
What are the key properties of 2-(3,5-dichloro-2-methoxyphenyl)-1H-pyrrole?
2-(3,5-dichloro-2-methoxyphenyl)-1H-pyrrole has a molecular weight of 242.11 g/mol, XLogP of 4.00, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dichloro-2-methoxyphenyl)-1H-pyrrole is sourced from PubChem (CID 14431148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).