5-chloro-2-(2-fluorophenyl)-3-methyl-1H-pyrrole

C11H9ClFN — CID 150656150

IUPAC5-chloro-2-(2-fluorophenyl)-3-methyl-1H-pyrrole
SMILESCc1cc(Cl)[nH]c1-c1ccccc1F
InChIInChI=1S/C11H9ClFN/c1-7-6-10(12)14-11(7)8-4-2-3-5-9(8)13/h2-6,14H,1H3
InChIKeyJCWWZIXHVBXHKN-UHFFFAOYSA-N
MW209.65 g/mol
LogP3.78
Rot. Bonds1

About 5-chloro-2-(2-fluorophenyl)-3-methyl-1H-pyrrole

5-chloro-2-(2-fluorophenyl)-3-methyl-1H-pyrrole (PubChem CID 150656150) has the molecular formula C11H9ClFN and a molecular weight of 209.65 g/mol. Its IUPAC name is 5-chloro-2-(2-fluorophenyl)-3-methyl-1H-pyrrole.

Molecular Properties

Compound Name5-chloro-2-(2-fluorophenyl)-3-methyl-1H-pyrrole
PubChem CID150656150
Molecular FormulaC11H9ClFN
Molecular Weight209.65 g/mol
Exact Mass209.04
IUPAC Name5-chloro-2-(2-fluorophenyl)-3-methyl-1H-pyrrole
SMILESCc1cc(Cl)[nH]c1-c1ccccc1F
InChIInChI=1S/C11H9ClFN/c1-7-6-10(12)14-11(7)8-4-2-3-5-9(8)13/h2-6,14H,1H3
InChIKeyJCWWZIXHVBXHKN-UHFFFAOYSA-N
XLogP3.78
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.65
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(2-fluorophenyl)-3-methyl-1H-pyrrole?
The IUPAC name of 5-chloro-2-(2-fluorophenyl)-3-methyl-1H-pyrrole (CID 150656150) is 5-chloro-2-(2-fluorophenyl)-3-methyl-1H-pyrrole.
What is the SMILES notation for 5-chloro-2-(2-fluorophenyl)-3-methyl-1H-pyrrole?
The canonical SMILES for 5-chloro-2-(2-fluorophenyl)-3-methyl-1H-pyrrole is Cc1cc(Cl)[nH]c1-c1ccccc1F.
What is the InChIKey of 5-chloro-2-(2-fluorophenyl)-3-methyl-1H-pyrrole?
The InChIKey is JCWWZIXHVBXHKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClFN/c1-7-6-10(12)14-11(7)8-4-2-3-5-9(8)13/h2-6,14H,1H3.
What are the key properties of 5-chloro-2-(2-fluorophenyl)-3-methyl-1H-pyrrole?
5-chloro-2-(2-fluorophenyl)-3-methyl-1H-pyrrole has a molecular weight of 209.65 g/mol, XLogP of 3.78, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(2-fluorophenyl)-3-methyl-1H-pyrrole is sourced from PubChem (CID 150656150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).