2-bromo-3-chloro-4-phenyl-1H-pyrrole

C10H7BrClN — CID 174732275

IUPAC2-bromo-3-chloro-4-phenyl-1H-pyrrole
SMILESClc1c(-c2ccccc2)c[nH]c1Br
InChIInChI=1S/C10H7BrClN/c11-10-9(12)8(6-13-10)7-4-2-1-3-5-7/h1-6,13H
InChIKeyBOMVYBHDQXHPEV-UHFFFAOYSA-N
MW256.53 g/mol
LogP4.10
Rot. Bonds1

About 2-bromo-3-chloro-4-phenyl-1H-pyrrole

2-bromo-3-chloro-4-phenyl-1H-pyrrole (PubChem CID 174732275) has the molecular formula C10H7BrClN and a molecular weight of 256.53 g/mol. Its IUPAC name is 2-bromo-3-chloro-4-phenyl-1H-pyrrole.

Molecular Properties

Compound Name2-bromo-3-chloro-4-phenyl-1H-pyrrole
PubChem CID174732275
Molecular FormulaC10H7BrClN
Molecular Weight256.53 g/mol
Exact Mass254.95
IUPAC Name2-bromo-3-chloro-4-phenyl-1H-pyrrole
SMILESClc1c(-c2ccccc2)c[nH]c1Br
InChIInChI=1S/C10H7BrClN/c11-10-9(12)8(6-13-10)7-4-2-1-3-5-7/h1-6,13H
InChIKeyBOMVYBHDQXHPEV-UHFFFAOYSA-N
XLogP4.10
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.53
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

1-bromo-2-chloro-3-phenylbenzene
CID 14452537
6,7-dibromo-3-phenyl-1H-indole
CID 134859239
methane;1-phenyl-2-(2-phenylphenyl)benzene
CID 144789864
4-chloro-5-phenyl-7H-pyrrolo[2,3-d]pyrimidine
CID 11499595
methane;3-phenyl-1H-indole
CID 167711687
2,3,4-triphenyl-1H-pyrrole;hydrochloride
CID 172844821
4-bromo-2-chloro-1-phenylbenzene
CID 13457416
6-bromo-4-phenyl-2H-isoquinolin-1-one
CID 155046719
5-chloro-3-phenyl-1H-pyrrolo[2,3-c]pyridine
CID 11481594
2-methyl-4-phenyl-1H-pyrrol-3-amine
CID 67920960
CID 69011285
CID 69011285
CID 172733378
CID 172733378

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-chloro-4-phenyl-1H-pyrrole?
The IUPAC name of 2-bromo-3-chloro-4-phenyl-1H-pyrrole (CID 174732275) is 2-bromo-3-chloro-4-phenyl-1H-pyrrole.
What is the SMILES notation for 2-bromo-3-chloro-4-phenyl-1H-pyrrole?
The canonical SMILES for 2-bromo-3-chloro-4-phenyl-1H-pyrrole is Clc1c(-c2ccccc2)c[nH]c1Br.
What is the InChIKey of 2-bromo-3-chloro-4-phenyl-1H-pyrrole?
The InChIKey is BOMVYBHDQXHPEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrClN/c11-10-9(12)8(6-13-10)7-4-2-1-3-5-7/h1-6,13H.
What are the key properties of 2-bromo-3-chloro-4-phenyl-1H-pyrrole?
2-bromo-3-chloro-4-phenyl-1H-pyrrole has a molecular weight of 256.53 g/mol, XLogP of 4.10, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-chloro-4-phenyl-1H-pyrrole is sourced from PubChem (CID 174732275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).