3-bromo-5-methyl-1-[2-(oxolan-3-yloxy)ethyl]pyridin-2-one

C12H16BrNO3 — CID 167778860

IUPAC3-bromo-5-methyl-1-[2-(oxolan-3-yloxy)ethyl]pyridin-2-one
SMILESCc1cc(Br)c(=O)n(CCOC2CCOC2)c1
InChIInChI=1S/C12H16BrNO3/c1-9-6-11(13)12(15)14(7-9)3-5-17-10-2-4-16-8-10/h6-7,10H,2-5,8H2,1H3
InChIKeyUEIHWIAYPQGDCO-UHFFFAOYSA-N
MW302.17 g/mol
LogP1.72
Rot. Bonds4

About 3-bromo-5-methyl-1-[2-(oxolan-3-yloxy)ethyl]pyridin-2-one

3-bromo-5-methyl-1-[2-(oxolan-3-yloxy)ethyl]pyridin-2-one (PubChem CID 167778860) has the molecular formula C12H16BrNO3 and a molecular weight of 302.17 g/mol. Its IUPAC name is 3-bromo-5-methyl-1-[2-(oxolan-3-yloxy)ethyl]pyridin-2-one.

Molecular Properties

Compound Name3-bromo-5-methyl-1-[2-(oxolan-3-yloxy)ethyl]pyridin-2-one
PubChem CID167778860
Molecular FormulaC12H16BrNO3
Molecular Weight302.17 g/mol
Exact Mass301.03
IUPAC Name3-bromo-5-methyl-1-[2-(oxolan-3-yloxy)ethyl]pyridin-2-one
SMILESCc1cc(Br)c(=O)n(CCOC2CCOC2)c1
InChIInChI=1S/C12H16BrNO3/c1-9-6-11(13)12(15)14(7-9)3-5-17-10-2-4-16-8-10/h6-7,10H,2-5,8H2,1H3
InChIKeyUEIHWIAYPQGDCO-UHFFFAOYSA-N
XLogP1.72
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.17
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-propoxyoxolane
CID 14071397
3-bromo-5-methyl-1-(piperidin-4-ylmethyl)pyridin-2-one
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4-(2-methylpyrazol-3-yl)-1-[2-(oxolan-3-yloxy)ethyl]triazole
CID 139019688
3-[2-(4-bromophenoxy)ethoxy]oxolane
CID 63559292
(3R)-3-(4-bromo-3-methylphenoxy)oxolane
CID 138986690
(3R)-3-(3-bromopropoxy)oxolane
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3-methyl-1-[2-(oxolan-3-yloxy)ethyl]azetidine-3-carboxamide
CID 167785998
1-(4-methylphenyl)-2-(oxolan-3-yloxy)ethanone
CID 63556467
3-[3-[(3S)-oxolan-3-yl]oxypropyl]-2-sulfanylidene-1H-quinazolin-4-one
CID 99626028
2-(oxan-3-yloxy)ethyl 4-methylbenzenesulfonate
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N-[[1-[2-(oxolan-3-yloxy)ethyl]triazol-4-yl]methyl]cyclopropanamine
CID 63556927

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-methyl-1-[2-(oxolan-3-yloxy)ethyl]pyridin-2-one?
The IUPAC name of 3-bromo-5-methyl-1-[2-(oxolan-3-yloxy)ethyl]pyridin-2-one (CID 167778860) is 3-bromo-5-methyl-1-[2-(oxolan-3-yloxy)ethyl]pyridin-2-one.
What is the SMILES notation for 3-bromo-5-methyl-1-[2-(oxolan-3-yloxy)ethyl]pyridin-2-one?
The canonical SMILES for 3-bromo-5-methyl-1-[2-(oxolan-3-yloxy)ethyl]pyridin-2-one is Cc1cc(Br)c(=O)n(CCOC2CCOC2)c1.
What is the InChIKey of 3-bromo-5-methyl-1-[2-(oxolan-3-yloxy)ethyl]pyridin-2-one?
The InChIKey is UEIHWIAYPQGDCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO3/c1-9-6-11(13)12(15)14(7-9)3-5-17-10-2-4-16-8-10/h6-7,10H,2-5,8H2,1H3.
What are the key properties of 3-bromo-5-methyl-1-[2-(oxolan-3-yloxy)ethyl]pyridin-2-one?
3-bromo-5-methyl-1-[2-(oxolan-3-yloxy)ethyl]pyridin-2-one has a molecular weight of 302.17 g/mol, XLogP of 1.72, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-methyl-1-[2-(oxolan-3-yloxy)ethyl]pyridin-2-one is sourced from PubChem (CID 167778860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).