4-amino-3-bromopyridine-2-carbaldehyde

C6H5BrN2O — CID 118845870

IUPAC4-amino-3-bromopyridine-2-carbaldehyde
SMILESNc1ccnc(C=O)c1Br
InChIInChI=1S/C6H5BrN2O/c7-6-4(8)1-2-9-5(6)3-10/h1-3H,(H2,8,9)
InChIKeyZOMABMNBTARQGL-UHFFFAOYSA-N
MW201.02 g/mol
LogP1.24
Rot. Bonds1

About 4-amino-3-bromopyridine-2-carbaldehyde

4-amino-3-bromopyridine-2-carbaldehyde (PubChem CID 118845870) has the molecular formula C6H5BrN2O and a molecular weight of 201.02 g/mol. Its IUPAC name is 4-amino-3-bromopyridine-2-carbaldehyde.

Molecular Properties

Compound Name4-amino-3-bromopyridine-2-carbaldehyde
PubChem CID118845870
Molecular FormulaC6H5BrN2O
Molecular Weight201.02 g/mol
Exact Mass199.96
IUPAC Name4-amino-3-bromopyridine-2-carbaldehyde
SMILESNc1ccnc(C=O)c1Br
InChIInChI=1S/C6H5BrN2O/c7-6-4(8)1-2-9-5(6)3-10/h1-3H,(H2,8,9)
InChIKeyZOMABMNBTARQGL-UHFFFAOYSA-N
XLogP1.24
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.02
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-3-bromopyridine-2-carbaldehyde?
The IUPAC name of 4-amino-3-bromopyridine-2-carbaldehyde (CID 118845870) is 4-amino-3-bromopyridine-2-carbaldehyde.
What is the SMILES notation for 4-amino-3-bromopyridine-2-carbaldehyde?
The canonical SMILES for 4-amino-3-bromopyridine-2-carbaldehyde is Nc1ccnc(C=O)c1Br.
What is the InChIKey of 4-amino-3-bromopyridine-2-carbaldehyde?
The InChIKey is ZOMABMNBTARQGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5BrN2O/c7-6-4(8)1-2-9-5(6)3-10/h1-3H,(H2,8,9).
What are the key properties of 4-amino-3-bromopyridine-2-carbaldehyde?
4-amino-3-bromopyridine-2-carbaldehyde has a molecular weight of 201.02 g/mol, XLogP of 1.24, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-bromopyridine-2-carbaldehyde is sourced from PubChem (CID 118845870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).