3-(2-chlorophenyl)-4-methyl-1H-pyrrole

C11H10ClN — CID 142279790

IUPAC3-(2-chlorophenyl)-4-methyl-1H-pyrrole
SMILESCc1c[nH]cc1-c1ccccc1Cl
InChIInChI=1S/C11H10ClN/c1-8-6-13-7-10(8)9-4-2-3-5-11(9)12/h2-7,13H,1H3
InChIKeyRQDPLBZGFRRSPG-UHFFFAOYSA-N
MW191.66 g/mol
LogP3.64
Rot. Bonds1

About 3-(2-chlorophenyl)-4-methyl-1H-pyrrole

3-(2-chlorophenyl)-4-methyl-1H-pyrrole (PubChem CID 142279790) has the molecular formula C11H10ClN and a molecular weight of 191.66 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-4-methyl-1H-pyrrole.

Molecular Properties

Compound Name3-(2-chlorophenyl)-4-methyl-1H-pyrrole
PubChem CID142279790
Molecular FormulaC11H10ClN
Molecular Weight191.66 g/mol
Exact Mass191.05
IUPAC Name3-(2-chlorophenyl)-4-methyl-1H-pyrrole
SMILESCc1c[nH]cc1-c1ccccc1Cl
InChIInChI=1S/C11H10ClN/c1-8-6-13-7-10(8)9-4-2-3-5-11(9)12/h2-7,13H,1H3
InChIKeyRQDPLBZGFRRSPG-UHFFFAOYSA-N
XLogP3.64
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.66
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

4-(2-chlorophenyl)-1H-pyrrol-3-amine
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2-(2-chlorophenyl)-4,7-dimethyl-1H-indole-3-carbaldehyde
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[4-(2-chlorophenyl)-1H-pyrrol-3-yl]-(4-fluorophenyl)methanol
CID 10733088
1-chloro-2-[2-[2-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]phenyl]benzene
CID 171525544
3-(2-chlorophenyl)-2-methylthiophene
CID 18933115
4-chloro-2-(2-chlorophenyl)-7-methyl-1H-indole-3-carbaldehyde
CID 3460263
dimethyl 4-(2-chlorophenyl)-6-methylbenzene-1,3-dicarboxylate
CID 174705944
CID 66838097
CID 66838097
1-chloro-2-methylbenzene;dihydrochloride
CID 174485339
2-(2-chlorophenyl)-3-methylaniline
CID 67904683
3-(2-chlorophenyl)-2,4-dimethylthiophene
CID 154275131
3-(2-chlorophenyl)-4-methyl-1H-1,2,4-triazole-5-thione
CID 779629

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-4-methyl-1H-pyrrole?
The IUPAC name of 3-(2-chlorophenyl)-4-methyl-1H-pyrrole (CID 142279790) is 3-(2-chlorophenyl)-4-methyl-1H-pyrrole.
What is the SMILES notation for 3-(2-chlorophenyl)-4-methyl-1H-pyrrole?
The canonical SMILES for 3-(2-chlorophenyl)-4-methyl-1H-pyrrole is Cc1c[nH]cc1-c1ccccc1Cl.
What is the InChIKey of 3-(2-chlorophenyl)-4-methyl-1H-pyrrole?
The InChIKey is RQDPLBZGFRRSPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN/c1-8-6-13-7-10(8)9-4-2-3-5-11(9)12/h2-7,13H,1H3.
What are the key properties of 3-(2-chlorophenyl)-4-methyl-1H-pyrrole?
3-(2-chlorophenyl)-4-methyl-1H-pyrrole has a molecular weight of 191.66 g/mol, XLogP of 3.64, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-4-methyl-1H-pyrrole is sourced from PubChem (CID 142279790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).