5-bromo-2-(oxan-3-yl)-1H-pyridin-4-one

C10H12BrNO2 — CID 172993108

IUPAC5-bromo-2-(oxan-3-yl)-1H-pyridin-4-one
SMILESO=c1cc(C2CCCOC2)[nH]cc1Br
InChIInChI=1S/C10H12BrNO2/c11-8-5-12-9(4-10(8)13)7-2-1-3-14-6-7/h4-5,7H,1-3,6H2,(H,12,13)
InChIKeyGHODBVYPPSTDNC-UHFFFAOYSA-N
MW258.11 g/mol
LogP2.03
Rot. Bonds1

About 5-bromo-2-(oxan-3-yl)-1H-pyridin-4-one

5-bromo-2-(oxan-3-yl)-1H-pyridin-4-one (PubChem CID 172993108) has the molecular formula C10H12BrNO2 and a molecular weight of 258.11 g/mol. Its IUPAC name is 5-bromo-2-(oxan-3-yl)-1H-pyridin-4-one.

Molecular Properties

Compound Name5-bromo-2-(oxan-3-yl)-1H-pyridin-4-one
PubChem CID172993108
Molecular FormulaC10H12BrNO2
Molecular Weight258.11 g/mol
Exact Mass257.01
IUPAC Name5-bromo-2-(oxan-3-yl)-1H-pyridin-4-one
SMILESO=c1cc(C2CCCOC2)[nH]cc1Br
InChIInChI=1S/C10H12BrNO2/c11-8-5-12-9(4-10(8)13)7-2-1-3-14-6-7/h4-5,7H,1-3,6H2,(H,12,13)
InChIKeyGHODBVYPPSTDNC-UHFFFAOYSA-N
XLogP2.03
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.11
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-(oxan-3-yl)-1H-pyridin-2-one
CID 172992133
5-bromo-2-(oxan-3-yl)-1H-pyrimidin-6-one
CID 66315122
5-(oxan-3-yl)-1H-pyrazole-3-carbaldehyde
CID 115092480
5-(oxan-3-yl)-1H-pyrazol-3-amine
CID 63015423
3-(4-bromofuran-3-yl)oxane
CID 82390776
5-(oxan-3-yl)-1H-pyrrole-2-carbaldehyde
CID 82409581
6-bromo-2-[(3R)-oxan-3-yl]-1H-benzimidazole
CID 70141450
4-cyclopentyl-2-(oxan-3-yl)-1H-pyrimidin-6-one
CID 136964441
3-[4-bromo-2-(trifluoromethyl)phenyl]oxane
CID 155896673
5-bromo-4-(oxan-3-yl)furan-3-amine
CID 82384749
N-[5-(oxan-3-yl)-1H-pyrazol-3-yl]-1,2-oxazole-3-carboxamide
CID 136538736
2-cyclopropyl-N-[5-(oxan-3-yl)-1H-pyrazol-3-yl]acetamide
CID 167905190

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(oxan-3-yl)-1H-pyridin-4-one?
The IUPAC name of 5-bromo-2-(oxan-3-yl)-1H-pyridin-4-one (CID 172993108) is 5-bromo-2-(oxan-3-yl)-1H-pyridin-4-one.
What is the SMILES notation for 5-bromo-2-(oxan-3-yl)-1H-pyridin-4-one?
The canonical SMILES for 5-bromo-2-(oxan-3-yl)-1H-pyridin-4-one is O=c1cc(C2CCCOC2)[nH]cc1Br.
What is the InChIKey of 5-bromo-2-(oxan-3-yl)-1H-pyridin-4-one?
The InChIKey is GHODBVYPPSTDNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO2/c11-8-5-12-9(4-10(8)13)7-2-1-3-14-6-7/h4-5,7H,1-3,6H2,(H,12,13).
What are the key properties of 5-bromo-2-(oxan-3-yl)-1H-pyridin-4-one?
5-bromo-2-(oxan-3-yl)-1H-pyridin-4-one has a molecular weight of 258.11 g/mol, XLogP of 2.03, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(oxan-3-yl)-1H-pyridin-4-one is sourced from PubChem (CID 172993108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).