2,3-dichloro-5-methyl-1H-pyrrole;ethane

C7H11Cl2N — CID 143404608

IUPAC2,3-dichloro-5-methyl-1H-pyrrole;ethane
SMILESCC.Cc1cc(Cl)c(Cl)[nH]1
InChIInChI=1S/C5H5Cl2N.C2H6/c1-3-2-4(6)5(7)8-3;1-2/h2,8H,1H3;1-2H3
InChIKeyZBIOJJGPRIKCAY-UHFFFAOYSA-N
MW180.08 g/mol
LogP3.66
Rot. Bonds

About 2,3-dichloro-5-methyl-1H-pyrrole;ethane

2,3-dichloro-5-methyl-1H-pyrrole;ethane (PubChem CID 143404608) has the molecular formula C7H11Cl2N and a molecular weight of 180.08 g/mol. Its IUPAC name is 2,3-dichloro-5-methyl-1H-pyrrole;ethane.

Molecular Properties

Compound Name2,3-dichloro-5-methyl-1H-pyrrole;ethane
PubChem CID143404608
Molecular FormulaC7H11Cl2N
Molecular Weight180.08 g/mol
Exact Mass179.03
IUPAC Name2,3-dichloro-5-methyl-1H-pyrrole;ethane
SMILESCC.Cc1cc(Cl)c(Cl)[nH]1
InChIInChI=1S/C5H5Cl2N.C2H6/c1-3-2-4(6)5(7)8-3;1-2/h2,8H,1H3;1-2H3
InChIKeyZBIOJJGPRIKCAY-UHFFFAOYSA-N
XLogP3.66
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.08
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-5-methyl-1H-pyrrole;ethane?
The IUPAC name of 2,3-dichloro-5-methyl-1H-pyrrole;ethane (CID 143404608) is 2,3-dichloro-5-methyl-1H-pyrrole;ethane.
What is the SMILES notation for 2,3-dichloro-5-methyl-1H-pyrrole;ethane?
The canonical SMILES for 2,3-dichloro-5-methyl-1H-pyrrole;ethane is CC.Cc1cc(Cl)c(Cl)[nH]1.
What is the InChIKey of 2,3-dichloro-5-methyl-1H-pyrrole;ethane?
The InChIKey is ZBIOJJGPRIKCAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5Cl2N.C2H6/c1-3-2-4(6)5(7)8-3;1-2/h2,8H,1H3;1-2H3.
What are the key properties of 2,3-dichloro-5-methyl-1H-pyrrole;ethane?
2,3-dichloro-5-methyl-1H-pyrrole;ethane has a molecular weight of 180.08 g/mol, XLogP of 3.66, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-5-methyl-1H-pyrrole;ethane is sourced from PubChem (CID 143404608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).