3,4-dibromo-1H-pyridin-2-one

C5H3Br2NO — CID 66610186

IUPAC3,4-dibromo-1H-pyridin-2-one
SMILESO=c1[nH]ccc(Br)c1Br
InChIInChI=1S/C5H3Br2NO/c6-3-1-2-8-5(9)4(3)7/h1-2H,(H,8,9)
InChIKeyXGDNQSQNOWRGAI-UHFFFAOYSA-N
MW252.89 g/mol
LogP1.90
Rot. Bonds

About 3,4-dibromo-1H-pyridin-2-one

3,4-dibromo-1H-pyridin-2-one (PubChem CID 66610186) has the molecular formula C5H3Br2NO and a molecular weight of 252.89 g/mol. Its IUPAC name is 3,4-dibromo-1H-pyridin-2-one.

Molecular Properties

Compound Name3,4-dibromo-1H-pyridin-2-one
PubChem CID66610186
Molecular FormulaC5H3Br2NO
Molecular Weight252.89 g/mol
Exact Mass250.86
IUPAC Name3,4-dibromo-1H-pyridin-2-one
SMILESO=c1[nH]ccc(Br)c1Br
InChIInChI=1S/C5H3Br2NO/c6-3-1-2-8-5(9)4(3)7/h1-2H,(H,8,9)
InChIKeyXGDNQSQNOWRGAI-UHFFFAOYSA-N
XLogP1.90
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.89
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3,4-dibromo-1H-pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-Bromo-2-hydroxypyridine
CID 599528
3-Bromo-2-hydroxypyridine
CID 818549
3,5-Dibromo-2-hydroxypyridine
CID 642826
4-Bromo-2-hydroxypyridine
CID 817115
3-Bromo-4-fluoropyridin-2(1H)-one
CID 127263633
3-Bromo-4-methylpyridin-2-ol
CID 13463813
4-Bromo-5-fluoro-2(1H)-pyridinone
CID 26746984
3-Bromo-5-fluoropyridin-2-ol
CID 40786905
4-Bromo-3-chloropyridin-2-ol
CID 72212800
5-bromo-4-fluoropyridin-2(1H)-one
CID 118408416
4-Bromo-3-fluoropyridin-2-ol
CID 118839380
4-Amino-3-bromopyridin-2(1H)-one
CID 13914613

Frequently Asked Questions

What is the IUPAC name of 3,4-dibromo-1H-pyridin-2-one?
The IUPAC name of 3,4-dibromo-1H-pyridin-2-one (CID 66610186) is 3,4-dibromo-1H-pyridin-2-one.
What is the SMILES notation for 3,4-dibromo-1H-pyridin-2-one?
The canonical SMILES for 3,4-dibromo-1H-pyridin-2-one is O=c1[nH]ccc(Br)c1Br.
What is the InChIKey of 3,4-dibromo-1H-pyridin-2-one?
The InChIKey is XGDNQSQNOWRGAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3Br2NO/c6-3-1-2-8-5(9)4(3)7/h1-2H,(H,8,9).
What are the key properties of 3,4-dibromo-1H-pyridin-2-one?
3,4-dibromo-1H-pyridin-2-one has a molecular weight of 252.89 g/mol, XLogP of 1.90, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dibromo-1H-pyridin-2-one is sourced from PubChem (CID 66610186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).