N-[4-bromo-3-(1-chloroethenyl)-1H-pyrrol-2-yl]ethanimine

C8H8BrClN2 — CID 123391610

IUPACN-[4-bromo-3-(1-chloroethenyl)-1H-pyrrol-2-yl]ethanimine
SMILESC=C(Cl)c1c(Br)c[nH]c1N=CC
InChIInChI=1S/C8H8BrClN2/c1-3-11-8-7(5(2)10)6(9)4-12-8/h3-4,12H,2H2,1H3
InChIKeyIBHRXYFXFPPEEE-UHFFFAOYSA-N
MW247.52 g/mol
LogP3.71
Rot. Bonds2

About N-[4-bromo-3-(1-chloroethenyl)-1H-pyrrol-2-yl]ethanimine

N-[4-bromo-3-(1-chloroethenyl)-1H-pyrrol-2-yl]ethanimine (PubChem CID 123391610) has the molecular formula C8H8BrClN2 and a molecular weight of 247.52 g/mol. Its IUPAC name is N-[4-bromo-3-(1-chloroethenyl)-1H-pyrrol-2-yl]ethanimine.

Molecular Properties

Compound NameN-[4-bromo-3-(1-chloroethenyl)-1H-pyrrol-2-yl]ethanimine
PubChem CID123391610
Molecular FormulaC8H8BrClN2
Molecular Weight247.52 g/mol
Exact Mass245.96
IUPAC NameN-[4-bromo-3-(1-chloroethenyl)-1H-pyrrol-2-yl]ethanimine
SMILESC=C(Cl)c1c(Br)c[nH]c1N=CC
InChIInChI=1S/C8H8BrClN2/c1-3-11-8-7(5(2)10)6(9)4-12-8/h3-4,12H,2H2,1H3
InChIKeyIBHRXYFXFPPEEE-UHFFFAOYSA-N
XLogP3.71
TPSA28.15 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.52
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-fluoro-2-(methylamino)-1H-pyrrole-3-carboximidoyl chloride
CID 155706418
N-[3-(1-chloroethenyl)-4-methyl-1H-pyrrol-2-yl]propan-1-imine
CID 90818222
N-[3-(1-bromoethenyl)-1H-pyrrol-2-yl]methanimine
CID 91252072
3-(1-chloroethenyl)-N-methyl-1H-pyrrol-2-amine
CID 123532472
N-[3-(1-chlorobut-1-enyl)-1H-pyrrol-2-yl]ethanimine
CID 123534778
N-[3-(1-chloroethenyl)-1H-pyrrol-2-yl]-2-methylbutan-1-imine
CID 123671315
N-[3-(1-chloroethenyl)-1H-pyrrol-2-yl]-2-methylpropan-1-imine
CID 123705930
3-bromo-5-chloro-6,7-dihydro-1H-pyrrolo[2,3-b]pyridine
CID 126690771
4-iodo-2-(methylamino)-1H-pyrrole-3-carboximidoyl chloride
CID 136618798
N-methyl-2-(methylideneamino)-1H-pyrrole-3-carboximidoyl chloride
CID 136627549
2-amino-N-propyl-1H-pyrrole-3-carboximidoyl chloride
CID 137252433
2-amino-4-bromo-N'-cyclobutyl-1H-pyrrole-3-carboximidamide
CID 137304725

Frequently Asked Questions

What is the IUPAC name of N-[4-bromo-3-(1-chloroethenyl)-1H-pyrrol-2-yl]ethanimine?
The IUPAC name of N-[4-bromo-3-(1-chloroethenyl)-1H-pyrrol-2-yl]ethanimine (CID 123391610) is N-[4-bromo-3-(1-chloroethenyl)-1H-pyrrol-2-yl]ethanimine.
What is the SMILES notation for N-[4-bromo-3-(1-chloroethenyl)-1H-pyrrol-2-yl]ethanimine?
The canonical SMILES for N-[4-bromo-3-(1-chloroethenyl)-1H-pyrrol-2-yl]ethanimine is C=C(Cl)c1c(Br)c[nH]c1N=CC.
What is the InChIKey of N-[4-bromo-3-(1-chloroethenyl)-1H-pyrrol-2-yl]ethanimine?
The InChIKey is IBHRXYFXFPPEEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrClN2/c1-3-11-8-7(5(2)10)6(9)4-12-8/h3-4,12H,2H2,1H3.
What are the key properties of N-[4-bromo-3-(1-chloroethenyl)-1H-pyrrol-2-yl]ethanimine?
N-[4-bromo-3-(1-chloroethenyl)-1H-pyrrol-2-yl]ethanimine has a molecular weight of 247.52 g/mol, XLogP of 3.71, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-bromo-3-(1-chloroethenyl)-1H-pyrrol-2-yl]ethanimine is sourced from PubChem (CID 123391610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).