4-bromo-1-methylpyrrol-2-amine;hydrochloride

C5H8BrClN2 — CID 146108127

IUPAC4-bromo-1-methylpyrrol-2-amine;hydrochloride
SMILESCl.Cn1cc(Br)cc1N
InChIInChI=1S/C5H7BrN2.ClH/c1-8-3-4(6)2-5(8)7;/h2-3H,7H2,1H3;1H
InChIKeyVPDYKMXXJLABRF-UHFFFAOYSA-N
MW211.49 g/mol
LogP1.79
Rot. Bonds

About 4-bromo-1-methylpyrrol-2-amine;hydrochloride

4-bromo-1-methylpyrrol-2-amine;hydrochloride (PubChem CID 146108127) has the molecular formula C5H8BrClN2 and a molecular weight of 211.49 g/mol. Its IUPAC name is 4-bromo-1-methylpyrrol-2-amine;hydrochloride.

Molecular Properties

Compound Name4-bromo-1-methylpyrrol-2-amine;hydrochloride
PubChem CID146108127
Molecular FormulaC5H8BrClN2
Molecular Weight211.49 g/mol
Exact Mass209.96
IUPAC Name4-bromo-1-methylpyrrol-2-amine;hydrochloride
SMILESCl.Cn1cc(Br)cc1N
InChIInChI=1S/C5H7BrN2.ClH/c1-8-3-4(6)2-5(8)7;/h2-3H,7H2,1H3;1H
InChIKeyVPDYKMXXJLABRF-UHFFFAOYSA-N
XLogP1.79
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.49
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-methylpyrrol-2-amine;hydrochloride?
The IUPAC name of 4-bromo-1-methylpyrrol-2-amine;hydrochloride (CID 146108127) is 4-bromo-1-methylpyrrol-2-amine;hydrochloride.
What is the SMILES notation for 4-bromo-1-methylpyrrol-2-amine;hydrochloride?
The canonical SMILES for 4-bromo-1-methylpyrrol-2-amine;hydrochloride is Cl.Cn1cc(Br)cc1N.
What is the InChIKey of 4-bromo-1-methylpyrrol-2-amine;hydrochloride?
The InChIKey is VPDYKMXXJLABRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7BrN2.ClH/c1-8-3-4(6)2-5(8)7;/h2-3H,7H2,1H3;1H.
What are the key properties of 4-bromo-1-methylpyrrol-2-amine;hydrochloride?
4-bromo-1-methylpyrrol-2-amine;hydrochloride has a molecular weight of 211.49 g/mol, XLogP of 1.79, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-methylpyrrol-2-amine;hydrochloride is sourced from PubChem (CID 146108127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).