1-methylpyrrole-2-carbaldehyde;hydrobromide

C6H8BrNO — CID 175223674

IUPAC1-methylpyrrole-2-carbaldehyde;hydrobromide
SMILESBr.Cn1cccc1C=O
InChIInChI=1S/C6H7NO.BrH/c1-7-4-2-3-6(7)5-8;/h2-5H,1H3;1H
InChIKeyHLLNXWYDGOPLLE-UHFFFAOYSA-N
MW190.04 g/mol
LogP1.42
Rot. Bonds1

About 1-methylpyrrole-2-carbaldehyde;hydrobromide

1-methylpyrrole-2-carbaldehyde;hydrobromide (PubChem CID 175223674) has the molecular formula C6H8BrNO and a molecular weight of 190.04 g/mol. Its IUPAC name is 1-methylpyrrole-2-carbaldehyde;hydrobromide.

Molecular Properties

Compound Name1-methylpyrrole-2-carbaldehyde;hydrobromide
PubChem CID175223674
Molecular FormulaC6H8BrNO
Molecular Weight190.04 g/mol
Exact Mass188.98
IUPAC Name1-methylpyrrole-2-carbaldehyde;hydrobromide
SMILESBr.Cn1cccc1C=O
InChIInChI=1S/C6H7NO.BrH/c1-7-4-2-3-6(7)5-8;/h2-5H,1H3;1H
InChIKeyHLLNXWYDGOPLLE-UHFFFAOYSA-N
XLogP1.42
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.04
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methylpyrrole-2-carbaldehyde;hydrobromide?
The IUPAC name of 1-methylpyrrole-2-carbaldehyde;hydrobromide (CID 175223674) is 1-methylpyrrole-2-carbaldehyde;hydrobromide.
What is the SMILES notation for 1-methylpyrrole-2-carbaldehyde;hydrobromide?
The canonical SMILES for 1-methylpyrrole-2-carbaldehyde;hydrobromide is Br.Cn1cccc1C=O.
What is the InChIKey of 1-methylpyrrole-2-carbaldehyde;hydrobromide?
The InChIKey is HLLNXWYDGOPLLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO.BrH/c1-7-4-2-3-6(7)5-8;/h2-5H,1H3;1H.
What are the key properties of 1-methylpyrrole-2-carbaldehyde;hydrobromide?
1-methylpyrrole-2-carbaldehyde;hydrobromide has a molecular weight of 190.04 g/mol, XLogP of 1.42, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylpyrrole-2-carbaldehyde;hydrobromide is sourced from PubChem (CID 175223674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).