1-(2-chloro-5-methylphenyl)-2,5-dimethylpyrrole

C13H14ClN — CID 107629535

IUPAC1-(2-chloro-5-methylphenyl)-2,5-dimethylpyrrole
SMILESCc1ccc(Cl)c(-n2c(C)ccc2C)c1
InChIInChI=1S/C13H14ClN/c1-9-4-7-12(14)13(8-9)15-10(2)5-6-11(15)3/h4-8H,1-3H3
InChIKeySYJDMDMWQYKGAO-UHFFFAOYSA-N
MW219.71 g/mol
LogP4.06
Rot. Bonds1

About 1-(2-chloro-5-methylphenyl)-2,5-dimethylpyrrole

1-(2-chloro-5-methylphenyl)-2,5-dimethylpyrrole (PubChem CID 107629535) has the molecular formula C13H14ClN and a molecular weight of 219.71 g/mol. Its IUPAC name is 1-(2-chloro-5-methylphenyl)-2,5-dimethylpyrrole.

Molecular Properties

Compound Name1-(2-chloro-5-methylphenyl)-2,5-dimethylpyrrole
PubChem CID107629535
Molecular FormulaC13H14ClN
Molecular Weight219.71 g/mol
Exact Mass219.08
IUPAC Name1-(2-chloro-5-methylphenyl)-2,5-dimethylpyrrole
SMILESCc1ccc(Cl)c(-n2c(C)ccc2C)c1
InChIInChI=1S/C13H14ClN/c1-9-4-7-12(14)13(8-9)15-10(2)5-6-11(15)3/h4-8H,1-3H3
InChIKeySYJDMDMWQYKGAO-UHFFFAOYSA-N
XLogP4.06
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.71
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

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Related Compounds

1-(2-chlorophenyl)-2,5-dimethylpyrrole
CID 4763653
1-(2-methoxy-5-methylphenyl)-2,5-dimethylpyrrole
CID 39243590
2-(2,5-dimethylpyrrol-1-yl)-5-methylphenol
CID 2125369
1-(2,4-dichlorophenyl)-2,5-dimethylpyrrole
CID 4771829
2,5-dimethyl-1-(2,3,5-trimethylphenyl)pyrrole
CID 54245638
2-(2-chloroethyl)-1-(2-chloro-5-methylphenyl)-5-methylbenzimidazole
CID 107637799
5,6-dichloro-2-(chloromethyl)-1-(2-chloro-5-methylphenyl)benzimidazole
CID 107637779
1,2-dichloro-4-methylbenzene;zinc
CID 174694337
1-(2-chloro-5-methylphenyl)-6-fluorobenzimidazol-2-amine
CID 107637274
1-(2-chloro-5-methylphenyl)imidazol-2-amine
CID 107628162
1-(2-chloro-5-methylphenyl)-4-methylpyrazol-3-amine
CID 107627899
1-(2-chloro-5-methylphenyl)triazol-4-amine
CID 107627716

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-5-methylphenyl)-2,5-dimethylpyrrole?
The IUPAC name of 1-(2-chloro-5-methylphenyl)-2,5-dimethylpyrrole (CID 107629535) is 1-(2-chloro-5-methylphenyl)-2,5-dimethylpyrrole.
What is the SMILES notation for 1-(2-chloro-5-methylphenyl)-2,5-dimethylpyrrole?
The canonical SMILES for 1-(2-chloro-5-methylphenyl)-2,5-dimethylpyrrole is Cc1ccc(Cl)c(-n2c(C)ccc2C)c1.
What is the InChIKey of 1-(2-chloro-5-methylphenyl)-2,5-dimethylpyrrole?
The InChIKey is SYJDMDMWQYKGAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN/c1-9-4-7-12(14)13(8-9)15-10(2)5-6-11(15)3/h4-8H,1-3H3.
What are the key properties of 1-(2-chloro-5-methylphenyl)-2,5-dimethylpyrrole?
1-(2-chloro-5-methylphenyl)-2,5-dimethylpyrrole has a molecular weight of 219.71 g/mol, XLogP of 4.06, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-5-methylphenyl)-2,5-dimethylpyrrole is sourced from PubChem (CID 107629535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).