1-(2,6-dichloro-3-methylphenyl)pyrrole

C11H9Cl2N — CID 43394721

IUPAC1-(2,6-dichloro-3-methylphenyl)pyrrole
SMILESCc1ccc(Cl)c(-n2cccc2)c1Cl
InChIInChI=1S/C11H9Cl2N/c1-8-4-5-9(12)11(10(8)13)14-6-2-3-7-14/h2-7H,1H3
InChIKeyOMZYGGWBSBFAHD-UHFFFAOYSA-N
MW226.11 g/mol
LogP4.09
Rot. Bonds1

About 1-(2,6-dichloro-3-methylphenyl)pyrrole

1-(2,6-dichloro-3-methylphenyl)pyrrole (PubChem CID 43394721) has the molecular formula C11H9Cl2N and a molecular weight of 226.11 g/mol. Its IUPAC name is 1-(2,6-dichloro-3-methylphenyl)pyrrole.

Molecular Properties

Compound Name1-(2,6-dichloro-3-methylphenyl)pyrrole
PubChem CID43394721
Molecular FormulaC11H9Cl2N
Molecular Weight226.11 g/mol
Exact Mass225.01
IUPAC Name1-(2,6-dichloro-3-methylphenyl)pyrrole
SMILESCc1ccc(Cl)c(-n2cccc2)c1Cl
InChIInChI=1S/C11H9Cl2N/c1-8-4-5-9(12)11(10(8)13)14-6-2-3-7-14/h2-7H,1H3
InChIKeyOMZYGGWBSBFAHD-UHFFFAOYSA-N
XLogP4.09
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.11
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,6-dichloro-3-methylphenyl)-5-methyl-1,2,4-triazole
CID 56622565
1-(2,6-difluoro-3-methylphenyl)pyrrole
CID 82819434
3-chloro-2-pyrrol-1-ylaniline
CID 166437360
3-amino-2-(2,6-dichloro-3-methylphenyl)isoquinolin-1-one
CID 43162653
1,3-dichloro-4-methyl-2-(trichloromethyl)benzene
CID 101286849
methyl 1-(2,6-dichloro-3-methylphenyl)azetidine-2-carboxylate
CID 112581128
8-(2,6-dichloro-3-methylphenyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione
CID 115946436
(1S)-1-(2,6-dichloro-3-methylphenyl)ethanol
CID 143190021
chloro-(2,3-dichloro-6-methylphenyl)-methylsilane
CID 151842892
1-(2,6-dichloro-3-methylphenyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714245
1-(2-chloro-3,6-dimethylphenyl)piperazine
CID 84789887
9,20-dichloro-6,23-dimethylhexacyclo[16.8.0.02,11.05,10.012,17.019,24]hexacosa-1(18),2(11),3,5,7,9,12,14,16,19,21,23,25-tridecaene
CID 101092978

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichloro-3-methylphenyl)pyrrole?
The IUPAC name of 1-(2,6-dichloro-3-methylphenyl)pyrrole (CID 43394721) is 1-(2,6-dichloro-3-methylphenyl)pyrrole.
What is the SMILES notation for 1-(2,6-dichloro-3-methylphenyl)pyrrole?
The canonical SMILES for 1-(2,6-dichloro-3-methylphenyl)pyrrole is Cc1ccc(Cl)c(-n2cccc2)c1Cl.
What is the InChIKey of 1-(2,6-dichloro-3-methylphenyl)pyrrole?
The InChIKey is OMZYGGWBSBFAHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2N/c1-8-4-5-9(12)11(10(8)13)14-6-2-3-7-14/h2-7H,1H3.
What are the key properties of 1-(2,6-dichloro-3-methylphenyl)pyrrole?
1-(2,6-dichloro-3-methylphenyl)pyrrole has a molecular weight of 226.11 g/mol, XLogP of 4.09, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichloro-3-methylphenyl)pyrrole is sourced from PubChem (CID 43394721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).