5-bromopyrimidine-2-carbaldehyde

C5H3BrN2O — CID 55264023

IUPAC5-bromopyrimidine-2-carbaldehyde
SMILESO=Cc1ncc(Br)cn1
InChIInChI=1S/C5H3BrN2O/c6-4-1-7-5(3-9)8-2-4/h1-3H
InChIKeyDCUNSYBCDXVLGH-UHFFFAOYSA-N
MW187.00 g/mol
LogP1.05
Rot. Bonds1

About 5-bromopyrimidine-2-carbaldehyde

5-bromopyrimidine-2-carbaldehyde (PubChem CID 55264023) has the molecular formula C5H3BrN2O and a molecular weight of 187.00 g/mol. Its IUPAC name is 5-bromopyrimidine-2-carbaldehyde.

Molecular Properties

Compound Name5-bromopyrimidine-2-carbaldehyde
PubChem CID55264023
Molecular FormulaC5H3BrN2O
Molecular Weight187.00 g/mol
Exact Mass185.94
IUPAC Name5-bromopyrimidine-2-carbaldehyde
SMILESO=Cc1ncc(Br)cn1
InChIInChI=1S/C5H3BrN2O/c6-4-1-7-5(3-9)8-2-4/h1-3H
InChIKeyDCUNSYBCDXVLGH-UHFFFAOYSA-N
XLogP1.05
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.00
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-Bromo-2-ethoxypyrimidine
CID 16427141
5-Bromo-2-methylpyrimidine
CID 14387744
Pyrimidine-2-carbaldehyde
CID 13751953
5-Bromo-2-ethylpyrimidine
CID 25150069
5-Bromopyrimidine-2-carboxylic acid
CID 16462970
(5-Bromopyrimidin-2-yl)methanol
CID 20557619
5-Methylpyrimidine-2-carbaldehyde
CID 23043336
Methyl 5-bromopyrimidine-2-carboxylate
CID 45790831
Ethyl 5-bromopyrimidine-2-carboxylate
CID 52987579
5-Fluoropyrimidine-2-carbaldehyde
CID 53408143
1-(5-Bromopyrimidin-2-yl)ethan-1-one
CID 53488064
5-bromo-N,N-dimethylpyrimidine-2-carboxamide
CID 59559990

Frequently Asked Questions

What is the IUPAC name of 5-bromopyrimidine-2-carbaldehyde?
The IUPAC name of 5-bromopyrimidine-2-carbaldehyde (CID 55264023) is 5-bromopyrimidine-2-carbaldehyde.
What is the SMILES notation for 5-bromopyrimidine-2-carbaldehyde?
The canonical SMILES for 5-bromopyrimidine-2-carbaldehyde is O=Cc1ncc(Br)cn1.
What is the InChIKey of 5-bromopyrimidine-2-carbaldehyde?
The InChIKey is DCUNSYBCDXVLGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3BrN2O/c6-4-1-7-5(3-9)8-2-4/h1-3H.
What are the key properties of 5-bromopyrimidine-2-carbaldehyde?
5-bromopyrimidine-2-carbaldehyde has a molecular weight of 187.00 g/mol, XLogP of 1.05, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromopyrimidine-2-carbaldehyde is sourced from PubChem (CID 55264023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).