1-[(3-bromophenyl)methyl]-2-chloropyrrole

C11H9BrClN — CID 141433576

IUPAC1-[(3-bromophenyl)methyl]-2-chloropyrrole
SMILESClc1cccn1Cc1cccc(Br)c1
InChIInChI=1S/C11H9BrClN/c12-10-4-1-3-9(7-10)8-14-6-2-5-11(14)13/h1-7H,8H2
InChIKeyXMJXZWXTQDOLFI-UHFFFAOYSA-N
MW270.56 g/mol
LogP3.95
Rot. Bonds2

About 1-[(3-bromophenyl)methyl]-2-chloropyrrole

1-[(3-bromophenyl)methyl]-2-chloropyrrole (PubChem CID 141433576) has the molecular formula C11H9BrClN and a molecular weight of 270.56 g/mol. Its IUPAC name is 1-[(3-bromophenyl)methyl]-2-chloropyrrole.

Molecular Properties

Compound Name1-[(3-bromophenyl)methyl]-2-chloropyrrole
PubChem CID141433576
Molecular FormulaC11H9BrClN
Molecular Weight270.56 g/mol
Exact Mass268.96
IUPAC Name1-[(3-bromophenyl)methyl]-2-chloropyrrole
SMILESClc1cccn1Cc1cccc(Br)c1
InChIInChI=1S/C11H9BrClN/c12-10-4-1-3-9(7-10)8-14-6-2-5-11(14)13/h1-7H,8H2
InChIKeyXMJXZWXTQDOLFI-UHFFFAOYSA-N
XLogP3.95
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.56
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(3-bromophenyl)methyl]-2-ethylpyrrole
CID 141433599
1-[(3-bromophenyl)methyl]indole
CID 22256844
1-[(3-bromophenyl)methyl]-2-[(3,5-dichlorophenyl)methyl]imidazole
CID 82561963
3-benzyl-1-[(3-bromophenyl)methyl]pyrimidine-2,4-dione
CID 166190063
1-[(3-bromophenyl)methyl]-N'-hydroxy-2-oxopyridine-3-carboximidamide
CID 107018015
1-[(3-bromophenyl)methyl]-2-ethylimidazole
CID 55150590
1-[(3-bromophenyl)methyl]-5-chloro-3-(difluoromethyl)pyrazole
CID 66016696
[1-[(3-bromophenyl)methyl]-2-oxo-4-pyridinyl]boronic acid
CID 145311982
1-[(3-bromophenyl)methyl]-4-chloro-3-iodopyrazole
CID 79784977
4-[(3-bromophenyl)methyl]-1,2,4-oxadiazol-5-one
CID 175723599
1-[(3-bromophenyl)methyl]pyrrole-2,5-dione
CID 60976377
1-[(3-bromophenyl)methyl]-5-ethylpyrimidine-2,4-dione
CID 66328937

Frequently Asked Questions

What is the IUPAC name of 1-[(3-bromophenyl)methyl]-2-chloropyrrole?
The IUPAC name of 1-[(3-bromophenyl)methyl]-2-chloropyrrole (CID 141433576) is 1-[(3-bromophenyl)methyl]-2-chloropyrrole.
What is the SMILES notation for 1-[(3-bromophenyl)methyl]-2-chloropyrrole?
The canonical SMILES for 1-[(3-bromophenyl)methyl]-2-chloropyrrole is Clc1cccn1Cc1cccc(Br)c1.
What is the InChIKey of 1-[(3-bromophenyl)methyl]-2-chloropyrrole?
The InChIKey is XMJXZWXTQDOLFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrClN/c12-10-4-1-3-9(7-10)8-14-6-2-5-11(14)13/h1-7H,8H2.
What are the key properties of 1-[(3-bromophenyl)methyl]-2-chloropyrrole?
1-[(3-bromophenyl)methyl]-2-chloropyrrole has a molecular weight of 270.56 g/mol, XLogP of 3.95, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-bromophenyl)methyl]-2-chloropyrrole is sourced from PubChem (CID 141433576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).