4-[(6-methyl-2-pyridinyl)oxymethyl]-1H-pyridin-2-one

C12H12N2O2 — CID 175949768

IUPAC4-[(6-methyl-2-pyridinyl)oxymethyl]-1H-pyridin-2-one
SMILESCc1cccc(OCc2cc[nH]c(=O)c2)n1
InChIInChI=1S/C12H12N2O2/c1-9-3-2-4-12(14-9)16-8-10-5-6-13-11(15)7-10/h2-7H,8H2,1H3,(H,13,15)
InChIKeyZLGCJVPJLUCTBY-UHFFFAOYSA-N
MW216.24 g/mol
LogP1.66
Rot. Bonds3

About 4-[(6-methyl-2-pyridinyl)oxymethyl]-1H-pyridin-2-one

4-[(6-methyl-2-pyridinyl)oxymethyl]-1H-pyridin-2-one (PubChem CID 175949768) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is 4-[(6-methyl-2-pyridinyl)oxymethyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name4-[(6-methyl-2-pyridinyl)oxymethyl]-1H-pyridin-2-one
PubChem CID175949768
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Name4-[(6-methyl-2-pyridinyl)oxymethyl]-1H-pyridin-2-one
SMILESCc1cccc(OCc2cc[nH]c(=O)c2)n1
InChIInChI=1S/C12H12N2O2/c1-9-3-2-4-12(14-9)16-8-10-5-6-13-11(15)7-10/h2-7H,8H2,1H3,(H,13,15)
InChIKeyZLGCJVPJLUCTBY-UHFFFAOYSA-N
XLogP1.66
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-methyl-1-[[4-[(6-methyl-2-pyridinyl)oxymethyl]phenyl]methyl]pyridin-2-one
CID 169227224
ethane;4-(2-oxopropoxymethyl)-1H-pyridin-2-one
CID 142506794
2-methyl-6-(pyridin-2-ylmethoxy)pyridine
CID 86815736
N-[2-[4-[(6-methyl-2-pyridinyl)oxymethyl]phenyl]ethylidene]hydroxylamine
CID 173145448
2-(methoxymethoxy)-6-methylpyridine
CID 150228028
ethane;4-(methylaminomethyl)-1H-pyridin-2-one
CID 145154349
2-[(6-methyl-2-pyridinyl)oxy]acetamide
CID 22228306
2-methyl-6-pentoxypyridine
CID 165358855
3-[(6-methyl-2-pyridinyl)oxy]propane-1,2-diol
CID 70641589
3-bromo-2-[(6-methyl-2-pyridinyl)oxymethyl]benzoic acid
CID 144783930
(2S)-1-[(6-methyl-2-pyridinyl)oxy]propan-2-ol
CID 100911233
1-methyl-6-[5-[(6-methyl-2-pyridinyl)oxymethyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one
CID 78324617

Frequently Asked Questions

What is the IUPAC name of 4-[(6-methyl-2-pyridinyl)oxymethyl]-1H-pyridin-2-one?
The IUPAC name of 4-[(6-methyl-2-pyridinyl)oxymethyl]-1H-pyridin-2-one (CID 175949768) is 4-[(6-methyl-2-pyridinyl)oxymethyl]-1H-pyridin-2-one.
What is the SMILES notation for 4-[(6-methyl-2-pyridinyl)oxymethyl]-1H-pyridin-2-one?
The canonical SMILES for 4-[(6-methyl-2-pyridinyl)oxymethyl]-1H-pyridin-2-one is Cc1cccc(OCc2cc[nH]c(=O)c2)n1.
What is the InChIKey of 4-[(6-methyl-2-pyridinyl)oxymethyl]-1H-pyridin-2-one?
The InChIKey is ZLGCJVPJLUCTBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c1-9-3-2-4-12(14-9)16-8-10-5-6-13-11(15)7-10/h2-7H,8H2,1H3,(H,13,15).
What are the key properties of 4-[(6-methyl-2-pyridinyl)oxymethyl]-1H-pyridin-2-one?
4-[(6-methyl-2-pyridinyl)oxymethyl]-1H-pyridin-2-one has a molecular weight of 216.24 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-methyl-2-pyridinyl)oxymethyl]-1H-pyridin-2-one is sourced from PubChem (CID 175949768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).