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

C5H4BrNO — CID 818549

IUPAC3-bromo-1H-pyridin-2-one
SMILESO=c1[nH]cccc1Br
InChIInChI=1S/C5H4BrNO/c6-4-2-1-3-7-5(4)8/h1-3H,(H,7,8)
InChIKeyYDUGVOUXNSWQSW-UHFFFAOYSA-N
MW174.00 g/mol
LogP1.14
Rot. Bonds

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

3-bromo-1H-pyridin-2-one (PubChem CID 818549) has the molecular formula C5H4BrNO and a molecular weight of 174.00 g/mol. Its IUPAC name is 3-bromo-1H-pyridin-2-one.

Molecular Properties

Compound Name3-bromo-1H-pyridin-2-one
PubChem CID818549
Molecular FormulaC5H4BrNO
Molecular Weight174.00 g/mol
Exact Mass172.95
IUPAC Name3-bromo-1H-pyridin-2-one
SMILESO=c1[nH]cccc1Br
InChIInChI=1S/C5H4BrNO/c6-4-2-1-3-7-5(4)8/h1-3H,(H,7,8)
InChIKeyYDUGVOUXNSWQSW-UHFFFAOYSA-N
XLogP1.14
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.00
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-1H-pyridin-2-one?
The IUPAC name of 3-bromo-1H-pyridin-2-one (CID 818549) is 3-bromo-1H-pyridin-2-one.
What is the SMILES notation for 3-bromo-1H-pyridin-2-one?
The canonical SMILES for 3-bromo-1H-pyridin-2-one is O=c1[nH]cccc1Br.
What is the InChIKey of 3-bromo-1H-pyridin-2-one?
The InChIKey is YDUGVOUXNSWQSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4BrNO/c6-4-2-1-3-7-5(4)8/h1-3H,(H,7,8).
What are the key properties of 3-bromo-1H-pyridin-2-one?
3-bromo-1H-pyridin-2-one has a molecular weight of 174.00 g/mol, XLogP of 1.14, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1H-pyridin-2-one is sourced from PubChem (CID 818549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).