4-bromo-3-(1-chloroethenyl)-2-methyl-1H-pyrrole

C7H7BrClN — CID 123504597

IUPAC4-bromo-3-(1-chloroethenyl)-2-methyl-1H-pyrrole
SMILESC=C(Cl)c1c(Br)c[nH]c1C
InChIInChI=1S/C7H7BrClN/c1-4(9)7-5(2)10-3-6(7)8/h3,10H,1H2,2H3
InChIKeyFPLIGARMWCPDSE-UHFFFAOYSA-N
MW220.50 g/mol
LogP3.30
Rot. Bonds1

About 4-bromo-3-(1-chloroethenyl)-2-methyl-1H-pyrrole

4-bromo-3-(1-chloroethenyl)-2-methyl-1H-pyrrole (PubChem CID 123504597) has the molecular formula C7H7BrClN and a molecular weight of 220.50 g/mol. Its IUPAC name is 4-bromo-3-(1-chloroethenyl)-2-methyl-1H-pyrrole.

Molecular Properties

Compound Name4-bromo-3-(1-chloroethenyl)-2-methyl-1H-pyrrole
PubChem CID123504597
Molecular FormulaC7H7BrClN
Molecular Weight220.50 g/mol
Exact Mass218.95
IUPAC Name4-bromo-3-(1-chloroethenyl)-2-methyl-1H-pyrrole
SMILESC=C(Cl)c1c(Br)c[nH]c1C
InChIInChI=1S/C7H7BrClN/c1-4(9)7-5(2)10-3-6(7)8/h3,10H,1H2,2H3
InChIKeyFPLIGARMWCPDSE-UHFFFAOYSA-N
XLogP3.30
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.50
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

N-[4-bromo-3-(1-chloroethenyl)-1H-pyrrol-2-yl]ethanimine
CID 123391610
3,5-dibromo-2-methyl-1H-pyridin-4-one
CID 126572034
5-(difluoromethyl)-2-methyl-4-oxo-1H-pyridine-3-carbonyl chloride
CID 130084068
1,2,3,4-tetrachloro-5-(1-chloroethenyl)-6-methylbenzene
CID 139798937
4-bromo-2-fluoro-3-methyl-1H-pyrrole
CID 129216118
2-(1-chloroethenyl)-1,3,5-triiodobenzene
CID 166018920
N-[3-(1-bromoethenyl)-4-methyl-1H-pyrrol-2-yl]methanimine;ethane
CID 170614255
5-bromo-3,4-dimethyl-1H-pyridine-2-thione
CID 130012652
1-(2,4-dimethyl-1H-pyrrol-3-yl)propan-1-one
CID 14640954
N,N,2,4-tetramethyl-1H-pyrrole-3-carboxamide
CID 175702407
1-bromo-4-chloro-3-methyl-2-prop-1-en-2-ylbenzene
CID 154933123
4-[(2,4-dibromophenyl)sulfonylamino]-2-methyl-1H-pyrrole-3-carboxylic acid
CID 82877606

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-(1-chloroethenyl)-2-methyl-1H-pyrrole?
The IUPAC name of 4-bromo-3-(1-chloroethenyl)-2-methyl-1H-pyrrole (CID 123504597) is 4-bromo-3-(1-chloroethenyl)-2-methyl-1H-pyrrole.
What is the SMILES notation for 4-bromo-3-(1-chloroethenyl)-2-methyl-1H-pyrrole?
The canonical SMILES for 4-bromo-3-(1-chloroethenyl)-2-methyl-1H-pyrrole is C=C(Cl)c1c(Br)c[nH]c1C.
What is the InChIKey of 4-bromo-3-(1-chloroethenyl)-2-methyl-1H-pyrrole?
The InChIKey is FPLIGARMWCPDSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrClN/c1-4(9)7-5(2)10-3-6(7)8/h3,10H,1H2,2H3.
What are the key properties of 4-bromo-3-(1-chloroethenyl)-2-methyl-1H-pyrrole?
4-bromo-3-(1-chloroethenyl)-2-methyl-1H-pyrrole has a molecular weight of 220.50 g/mol, XLogP of 3.30, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-(1-chloroethenyl)-2-methyl-1H-pyrrole is sourced from PubChem (CID 123504597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).