4-(3-chlorophenyl)-5-methyl-3H-pyrrole

C11H10ClN — CID 118683231

IUPAC4-(3-chlorophenyl)-5-methyl-3H-pyrrole
SMILESCC1=C(c2cccc(Cl)c2)CC=N1
InChIInChI=1S/C11H10ClN/c1-8-11(5-6-13-8)9-3-2-4-10(12)7-9/h2-4,6-7H,5H2,1H3
InChIKeyPXUJBXSFVQSROU-UHFFFAOYSA-N
MW191.66 g/mol
LogP3.55
Rot. Bonds1

About 4-(3-chlorophenyl)-5-methyl-3H-pyrrole

4-(3-chlorophenyl)-5-methyl-3H-pyrrole (PubChem CID 118683231) has the molecular formula C11H10ClN and a molecular weight of 191.66 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-5-methyl-3H-pyrrole.

Molecular Properties

Compound Name4-(3-chlorophenyl)-5-methyl-3H-pyrrole
PubChem CID118683231
Molecular FormulaC11H10ClN
Molecular Weight191.66 g/mol
Exact Mass191.05
IUPAC Name4-(3-chlorophenyl)-5-methyl-3H-pyrrole
SMILESCC1=C(c2cccc(Cl)c2)CC=N1
InChIInChI=1S/C11H10ClN/c1-8-11(5-6-13-8)9-3-2-4-10(12)7-9/h2-4,6-7H,5H2,1H3
InChIKeyPXUJBXSFVQSROU-UHFFFAOYSA-N
XLogP3.55
TPSA12.36 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 ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-chlorophenyl)-4,5-dimethyl-3H-pyrrole
CID 158338449
2-(3-chlorophenyl)-4-methylthiophene
CID 173145539
4-(3-chlorophenyl)-5-methylpyrazol-3-one
CID 23330088
4-(3-chlorophenyl)-2-(4-methylphenyl)-1,3-thiazole
CID 150697593
5-(3-chlorophenyl)-2,3-dimethylfuran
CID 90397375
2-(3-chlorophenyl)-3H-pyrrole
CID 157390265
3-chloro-6-[4-(3-chlorophenyl)-5-methyl-1,2,3,6-tetrahydropyridin-2-yl]pyridazine
CID 88699252
2-(3-chlorophenyl)-4-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114740114
4-(3-chlorophenyl)-2-methylfuran
CID 69479564
3,5-bis(3-chlorophenyl)-1,2,4-triazol-4-amine
CID 15499603
4-(bromomethyl)-2-(3-chlorophenyl)-1,3-thiazole
CID 119093841
6-(3-chlorophenyl)-3,5-dimethylimidazo[2,1-b][1,3]thiazole
CID 113225131

Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-5-methyl-3H-pyrrole?
The IUPAC name of 4-(3-chlorophenyl)-5-methyl-3H-pyrrole (CID 118683231) is 4-(3-chlorophenyl)-5-methyl-3H-pyrrole.
What is the SMILES notation for 4-(3-chlorophenyl)-5-methyl-3H-pyrrole?
The canonical SMILES for 4-(3-chlorophenyl)-5-methyl-3H-pyrrole is CC1=C(c2cccc(Cl)c2)CC=N1.
What is the InChIKey of 4-(3-chlorophenyl)-5-methyl-3H-pyrrole?
The InChIKey is PXUJBXSFVQSROU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN/c1-8-11(5-6-13-8)9-3-2-4-10(12)7-9/h2-4,6-7H,5H2,1H3.
What are the key properties of 4-(3-chlorophenyl)-5-methyl-3H-pyrrole?
4-(3-chlorophenyl)-5-methyl-3H-pyrrole has a molecular weight of 191.66 g/mol, XLogP of 3.55, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-5-methyl-3H-pyrrole is sourced from PubChem (CID 118683231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).