3-bromo-1H-pyridin-2-one;1H-pyridin-2-one

C10H9BrN2O2 — CID 158787427

IUPAC3-bromo-1H-pyridin-2-one;1H-pyridin-2-one
SMILESO=c1[nH]cccc1Br.O=c1cccc[nH]1
InChIInChI=1S/C5H4BrNO.C5H5NO/c6-4-2-1-3-7-5(4)8;7-5-3-1-2-4-6-5/h1-3H,(H,7,8);1-4H,(H,6,7)
InChIKeyIRVYJCGNTNZKMM-UHFFFAOYSA-N
MW269.10 g/mol
LogP1.51
Rot. Bonds

About 3-bromo-1H-pyridin-2-one;1H-pyridin-2-one

3-bromo-1H-pyridin-2-one;1H-pyridin-2-one (PubChem CID 158787427) has the molecular formula C10H9BrN2O2 and a molecular weight of 269.10 g/mol. Its IUPAC name is 3-bromo-1H-pyridin-2-one;1H-pyridin-2-one.

Molecular Properties

Compound Name3-bromo-1H-pyridin-2-one;1H-pyridin-2-one
PubChem CID158787427
Molecular FormulaC10H9BrN2O2
Molecular Weight269.10 g/mol
Exact Mass267.98
IUPAC Name3-bromo-1H-pyridin-2-one;1H-pyridin-2-one
SMILESO=c1[nH]cccc1Br.O=c1cccc[nH]1
InChIInChI=1S/C5H4BrNO.C5H5NO/c6-4-2-1-3-7-5(4)8;7-5-3-1-2-4-6-5/h1-3H,(H,7,8);1-4H,(H,6,7)
InChIKeyIRVYJCGNTNZKMM-UHFFFAOYSA-N
XLogP1.51
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.10
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-1H-pyridin-2-one;1H-pyridin-2-one?
The IUPAC name of 3-bromo-1H-pyridin-2-one;1H-pyridin-2-one (CID 158787427) is 3-bromo-1H-pyridin-2-one;1H-pyridin-2-one.
What is the SMILES notation for 3-bromo-1H-pyridin-2-one;1H-pyridin-2-one?
The canonical SMILES for 3-bromo-1H-pyridin-2-one;1H-pyridin-2-one is O=c1[nH]cccc1Br.O=c1cccc[nH]1.
What is the InChIKey of 3-bromo-1H-pyridin-2-one;1H-pyridin-2-one?
The InChIKey is IRVYJCGNTNZKMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4BrNO.C5H5NO/c6-4-2-1-3-7-5(4)8;7-5-3-1-2-4-6-5/h1-3H,(H,7,8);1-4H,(H,6,7).
What are the key properties of 3-bromo-1H-pyridin-2-one;1H-pyridin-2-one?
3-bromo-1H-pyridin-2-one;1H-pyridin-2-one has a molecular weight of 269.10 g/mol, XLogP of 1.51, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1H-pyridin-2-one;1H-pyridin-2-one is sourced from PubChem (CID 158787427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).