3-[(Z)-2-bromo-1-chloroethenyl]-4-ethoxy-1H-pyrrole

C8H9BrClNO — CID 118900149

IUPAC3-[(Z)-2-bromo-1-chloroethenyl]-4-ethoxy-1H-pyrrole
SMILESCCOc1c[nH]cc1/C(Cl)=C/Br
InChIInChI=1S/C8H9BrClNO/c1-2-12-8-5-11-4-6(8)7(10)3-9/h3-5,11H,2H2,1H3/b7-3-
InChIKeyMJEUINLTZNIYEL-CLTKARDFSA-N
MW250.52 g/mol
LogP3.35
Rot. Bonds3

About 3-[(Z)-2-bromo-1-chloroethenyl]-4-ethoxy-1H-pyrrole

3-[(Z)-2-bromo-1-chloroethenyl]-4-ethoxy-1H-pyrrole (PubChem CID 118900149) has the molecular formula C8H9BrClNO and a molecular weight of 250.52 g/mol. Its IUPAC name is 3-[(Z)-2-bromo-1-chloroethenyl]-4-ethoxy-1H-pyrrole.

Molecular Properties

Compound Name3-[(Z)-2-bromo-1-chloroethenyl]-4-ethoxy-1H-pyrrole
PubChem CID118900149
Molecular FormulaC8H9BrClNO
Molecular Weight250.52 g/mol
Exact Mass248.96
IUPAC Name3-[(Z)-2-bromo-1-chloroethenyl]-4-ethoxy-1H-pyrrole
SMILESCCOc1c[nH]cc1/C(Cl)=C/Br
InChIInChI=1S/C8H9BrClNO/c1-2-12-8-5-11-4-6(8)7(10)3-9/h3-5,11H,2H2,1H3/b7-3-
InChIKeyMJEUINLTZNIYEL-CLTKARDFSA-N
XLogP3.35
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.52
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[(Z)-2-bromo-1-chloroethenyl]-4-ethoxy-1H-pyrrole?
The IUPAC name of 3-[(Z)-2-bromo-1-chloroethenyl]-4-ethoxy-1H-pyrrole (CID 118900149) is 3-[(Z)-2-bromo-1-chloroethenyl]-4-ethoxy-1H-pyrrole.
What is the SMILES notation for 3-[(Z)-2-bromo-1-chloroethenyl]-4-ethoxy-1H-pyrrole?
The canonical SMILES for 3-[(Z)-2-bromo-1-chloroethenyl]-4-ethoxy-1H-pyrrole is CCOc1c[nH]cc1/C(Cl)=C/Br.
What is the InChIKey of 3-[(Z)-2-bromo-1-chloroethenyl]-4-ethoxy-1H-pyrrole?
The InChIKey is MJEUINLTZNIYEL-CLTKARDFSA-N. The full InChI is InChI=1S/C8H9BrClNO/c1-2-12-8-5-11-4-6(8)7(10)3-9/h3-5,11H,2H2,1H3/b7-3-.
What are the key properties of 3-[(Z)-2-bromo-1-chloroethenyl]-4-ethoxy-1H-pyrrole?
3-[(Z)-2-bromo-1-chloroethenyl]-4-ethoxy-1H-pyrrole has a molecular weight of 250.52 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-2-bromo-1-chloroethenyl]-4-ethoxy-1H-pyrrole is sourced from PubChem (CID 118900149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).