2-bromo-1H-pyrrole;ethanol

C6H10BrNO — CID 174858836

IUPAC2-bromo-1H-pyrrole;ethanol
SMILESBrc1ccc[nH]1.CCO
InChIInChI=1S/C4H4BrN.C2H6O/c5-4-2-1-3-6-4;1-2-3/h1-3,6H;3H,2H2,1H3
InChIKeyPBNUQJUHMFWYHF-UHFFFAOYSA-N
MW192.06 g/mol
LogP1.78
Rot. Bonds

About 2-bromo-1H-pyrrole;ethanol

2-bromo-1H-pyrrole;ethanol (PubChem CID 174858836) has the molecular formula C6H10BrNO and a molecular weight of 192.06 g/mol. Its IUPAC name is 2-bromo-1H-pyrrole;ethanol.

Molecular Properties

Compound Name2-bromo-1H-pyrrole;ethanol
PubChem CID174858836
Molecular FormulaC6H10BrNO
Molecular Weight192.06 g/mol
Exact Mass190.99
IUPAC Name2-bromo-1H-pyrrole;ethanol
SMILESBrc1ccc[nH]1.CCO
InChIInChI=1S/C4H4BrN.C2H6O/c5-4-2-1-3-6-4;1-2-3/h1-3,6H;3H,2H2,1H3
InChIKeyPBNUQJUHMFWYHF-UHFFFAOYSA-N
XLogP1.78
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.06
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-1H-pyrrole;ethanol?
The IUPAC name of 2-bromo-1H-pyrrole;ethanol (CID 174858836) is 2-bromo-1H-pyrrole;ethanol.
What is the SMILES notation for 2-bromo-1H-pyrrole;ethanol?
The canonical SMILES for 2-bromo-1H-pyrrole;ethanol is Brc1ccc[nH]1.CCO.
What is the InChIKey of 2-bromo-1H-pyrrole;ethanol?
The InChIKey is PBNUQJUHMFWYHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4BrN.C2H6O/c5-4-2-1-3-6-4;1-2-3/h1-3,6H;3H,2H2,1H3.
What are the key properties of 2-bromo-1H-pyrrole;ethanol?
2-bromo-1H-pyrrole;ethanol has a molecular weight of 192.06 g/mol, XLogP of 1.78, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1H-pyrrole;ethanol is sourced from PubChem (CID 174858836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).