4-bromo-1H-pyridin-2-one

C10H8Br2N2O2 — CID 174223465

IUPAC4-bromo-1H-pyridin-2-one
SMILESO=c1cc(Br)cc[nH]1.O=c1cc(Br)cc[nH]1
InChIInChI=1S/2C5H4BrNO/c2*6-4-1-2-7-5(8)3-4/h2*1-3H,(H,7,8)
InChIKeyWBBFAEHDHIQCKX-UHFFFAOYSA-N
MW347.99 g/mol
LogP2.27
Rot. Bonds

About 4-bromo-1H-pyridin-2-one

4-bromo-1H-pyridin-2-one (PubChem CID 174223465) has the molecular formula C10H8Br2N2O2 and a molecular weight of 347.99 g/mol. Its IUPAC name is 4-bromo-1H-pyridin-2-one.

Molecular Properties

Compound Name4-bromo-1H-pyridin-2-one
PubChem CID174223465
Molecular FormulaC10H8Br2N2O2
Molecular Weight347.99 g/mol
Exact Mass345.90
IUPAC Name4-bromo-1H-pyridin-2-one
SMILESO=c1cc(Br)cc[nH]1.O=c1cc(Br)cc[nH]1
InChIInChI=1S/2C5H4BrNO/c2*6-4-1-2-7-5(8)3-4/h2*1-3H,(H,7,8)
InChIKeyWBBFAEHDHIQCKX-UHFFFAOYSA-N
XLogP2.27
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.99
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-1H-pyridin-2-one?
The IUPAC name of 4-bromo-1H-pyridin-2-one (CID 174223465) is 4-bromo-1H-pyridin-2-one.
What is the SMILES notation for 4-bromo-1H-pyridin-2-one?
The canonical SMILES for 4-bromo-1H-pyridin-2-one is O=c1cc(Br)cc[nH]1.O=c1cc(Br)cc[nH]1.
What is the InChIKey of 4-bromo-1H-pyridin-2-one?
The InChIKey is WBBFAEHDHIQCKX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H4BrNO/c2*6-4-1-2-7-5(8)3-4/h2*1-3H,(H,7,8).
What are the key properties of 4-bromo-1H-pyridin-2-one?
4-bromo-1H-pyridin-2-one has a molecular weight of 347.99 g/mol, XLogP of 2.27, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1H-pyridin-2-one is sourced from PubChem (CID 174223465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).