1-(3-chlorophenyl)-2-methylpyrrole

C11H10ClN — CID 70286034

IUPAC1-(3-chlorophenyl)-2-methylpyrrole
SMILESCc1cccn1-c1cccc(Cl)c1
InChIInChI=1S/C11H10ClN/c1-9-4-3-7-13(9)11-6-2-5-10(12)8-11/h2-8H,1H3
InChIKeyAKOFMGFKXNPYQT-UHFFFAOYSA-N
MW191.66 g/mol
LogP3.44
Rot. Bonds1

About 1-(3-chlorophenyl)-2-methylpyrrole

1-(3-chlorophenyl)-2-methylpyrrole (PubChem CID 70286034) has the molecular formula C11H10ClN and a molecular weight of 191.66 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-2-methylpyrrole.

Molecular Properties

Compound Name1-(3-chlorophenyl)-2-methylpyrrole
PubChem CID70286034
Molecular FormulaC11H10ClN
Molecular Weight191.66 g/mol
Exact Mass191.05
IUPAC Name1-(3-chlorophenyl)-2-methylpyrrole
SMILESCc1cccn1-c1cccc(Cl)c1
InChIInChI=1S/C11H10ClN/c1-9-4-3-7-13(9)11-6-2-5-10(12)8-11/h2-8H,1H3
InChIKeyAKOFMGFKXNPYQT-UHFFFAOYSA-N
XLogP3.44
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.66
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-2-methylpyrrole?
The IUPAC name of 1-(3-chlorophenyl)-2-methylpyrrole (CID 70286034) is 1-(3-chlorophenyl)-2-methylpyrrole.
What is the SMILES notation for 1-(3-chlorophenyl)-2-methylpyrrole?
The canonical SMILES for 1-(3-chlorophenyl)-2-methylpyrrole is Cc1cccn1-c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-2-methylpyrrole?
The InChIKey is AKOFMGFKXNPYQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN/c1-9-4-3-7-13(9)11-6-2-5-10(12)8-11/h2-8H,1H3.
What are the key properties of 1-(3-chlorophenyl)-2-methylpyrrole?
1-(3-chlorophenyl)-2-methylpyrrole has a molecular weight of 191.66 g/mol, XLogP of 3.44, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-2-methylpyrrole is sourced from PubChem (CID 70286034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).