1-[(2,6-dichlorophenyl)methyl]pyrrole

C11H9Cl2N — CID 63811760

IUPAC1-[(2,6-dichlorophenyl)methyl]pyrrole
SMILESClc1cccc(Cl)c1Cn1cccc1
InChIInChI=1S/C11H9Cl2N/c12-10-4-3-5-11(13)9(10)8-14-6-1-2-7-14/h1-7H,8H2
InChIKeyNXJONEGUZRUWAW-UHFFFAOYSA-N
MW226.11 g/mol
LogP3.84
Rot. Bonds2

About 1-[(2,6-dichlorophenyl)methyl]pyrrole

1-[(2,6-dichlorophenyl)methyl]pyrrole (PubChem CID 63811760) has the molecular formula C11H9Cl2N and a molecular weight of 226.11 g/mol. Its IUPAC name is 1-[(2,6-dichlorophenyl)methyl]pyrrole.

Molecular Properties

Compound Name1-[(2,6-dichlorophenyl)methyl]pyrrole
PubChem CID63811760
Molecular FormulaC11H9Cl2N
Molecular Weight226.11 g/mol
Exact Mass225.01
IUPAC Name1-[(2,6-dichlorophenyl)methyl]pyrrole
SMILESClc1cccc(Cl)c1Cn1cccc1
InChIInChI=1S/C11H9Cl2N/c12-10-4-3-5-11(13)9(10)8-14-6-1-2-7-14/h1-7H,8H2
InChIKeyNXJONEGUZRUWAW-UHFFFAOYSA-N
XLogP3.84
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.11
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[1-[(2,6-dichlorophenyl)methyl]pyrrol-3-yl]propan-1-one
CID 79098872
1-[(2,6-dichlorophenyl)methyl]azepane
CID 22198064
1-[1-[(2,6-dichlorophenyl)methyl]pyrrol-3-yl]-2-methylpropan-1-amine
CID 79098047
cyclopropyl-[1-[(2,6-dichlorophenyl)methyl]pyrrol-3-yl]methanamine
CID 79103466
1-[(2,6-dichlorophenyl)methyl]piperazine
CID 770796
2-(chloromethyl)-1-[(2,6-dichlorophenyl)methyl]imidazole
CID 62223786
1-[(4-chlorophenyl)methyl]-4-[(2,6-dichlorophenyl)methyl]piperazine
CID 22195537
1-[(2,6-dichlorophenyl)methyl]indol-7-amine
CID 114935944
1-[(2,6-dichlorophenyl)methyl]-4-fluoroindole
CID 82795364
4,6-dichloro-1-[(2,6-dichlorophenyl)methyl]indole
CID 103428456
1-(2,6-dichlorophenoxy)pyrrole
CID 91581959
4-[(2,6-dichlorophenyl)methyl]morpholine-3,5-dione
CID 126721192

Frequently Asked Questions

What is the IUPAC name of 1-[(2,6-dichlorophenyl)methyl]pyrrole?
The IUPAC name of 1-[(2,6-dichlorophenyl)methyl]pyrrole (CID 63811760) is 1-[(2,6-dichlorophenyl)methyl]pyrrole.
What is the SMILES notation for 1-[(2,6-dichlorophenyl)methyl]pyrrole?
The canonical SMILES for 1-[(2,6-dichlorophenyl)methyl]pyrrole is Clc1cccc(Cl)c1Cn1cccc1.
What is the InChIKey of 1-[(2,6-dichlorophenyl)methyl]pyrrole?
The InChIKey is NXJONEGUZRUWAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2N/c12-10-4-3-5-11(13)9(10)8-14-6-1-2-7-14/h1-7H,8H2.
What are the key properties of 1-[(2,6-dichlorophenyl)methyl]pyrrole?
1-[(2,6-dichlorophenyl)methyl]pyrrole has a molecular weight of 226.11 g/mol, XLogP of 3.84, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,6-dichlorophenyl)methyl]pyrrole is sourced from PubChem (CID 63811760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).