1-(2-methoxy-3-pyridinyl)-4-methylpentan-1-one

C12H17NO2 — CID 105087086

IUPAC1-(2-methoxy-3-pyridinyl)-4-methylpentan-1-one
SMILESCOc1ncccc1C(=O)CCC(C)C
InChIInChI=1S/C12H17NO2/c1-9(2)6-7-11(14)10-5-4-8-13-12(10)15-3/h4-5,8-9H,6-7H2,1-3H3
InChIKeyVQLMBXAOHLVECR-UHFFFAOYSA-N
MW207.27 g/mol
LogP2.71
Rot. Bonds5

About 1-(2-methoxy-3-pyridinyl)-4-methylpentan-1-one

1-(2-methoxy-3-pyridinyl)-4-methylpentan-1-one (PubChem CID 105087086) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 1-(2-methoxy-3-pyridinyl)-4-methylpentan-1-one.

Molecular Properties

Compound Name1-(2-methoxy-3-pyridinyl)-4-methylpentan-1-one
PubChem CID105087086
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name1-(2-methoxy-3-pyridinyl)-4-methylpentan-1-one
SMILESCOc1ncccc1C(=O)CCC(C)C
InChIInChI=1S/C12H17NO2/c1-9(2)6-7-11(14)10-5-4-8-13-12(10)15-3/h4-5,8-9H,6-7H2,1-3H3
InChIKeyVQLMBXAOHLVECR-UHFFFAOYSA-N
XLogP2.71
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methoxy-3-pyridinyl)octan-1-one
CID 105086571
1-(3-methoxypyrazin-2-yl)-4-methylpentan-1-one
CID 104514881
1-(2-methoxy-3-pyridinyl)-4-methylsulfonylbutan-1-one
CID 105084342
3-cyclohexyl-1-(2-methoxy-3-pyridinyl)propan-1-one
CID 114192802
2-[(2-methoxypyridine-3-carbonyl)-(2-methylpropyl)amino]acetic acid
CID 63072391
1-(2-methoxy-3-pyridinyl)-2-(1-methylimidazol-2-yl)ethanone
CID 105116343
2-(2-bromophenyl)-1-(2-methoxy-3-pyridinyl)ethanone
CID 105078628
1-(4-methoxyphenyl)-3-(2-methoxy-3-pyridinyl)propane-1,3-dione
CID 86238841
N-(3-hydroxybutyl)-2-methoxy-N-methylpyridine-3-carboxamide
CID 113248565
N-(2-amino-3-hydroxybutyl)-2-methoxypyridine-3-carboxamide
CID 64541044
3-[(2-methoxypyridine-3-carbonyl)amino]butanoic acid
CID 43360879
methyl 2-(2-methoxypyridine-3-carbonyl)benzoate
CID 24723742

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-3-pyridinyl)-4-methylpentan-1-one?
The IUPAC name of 1-(2-methoxy-3-pyridinyl)-4-methylpentan-1-one (CID 105087086) is 1-(2-methoxy-3-pyridinyl)-4-methylpentan-1-one.
What is the SMILES notation for 1-(2-methoxy-3-pyridinyl)-4-methylpentan-1-one?
The canonical SMILES for 1-(2-methoxy-3-pyridinyl)-4-methylpentan-1-one is COc1ncccc1C(=O)CCC(C)C.
What is the InChIKey of 1-(2-methoxy-3-pyridinyl)-4-methylpentan-1-one?
The InChIKey is VQLMBXAOHLVECR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-9(2)6-7-11(14)10-5-4-8-13-12(10)15-3/h4-5,8-9H,6-7H2,1-3H3.
What are the key properties of 1-(2-methoxy-3-pyridinyl)-4-methylpentan-1-one?
1-(2-methoxy-3-pyridinyl)-4-methylpentan-1-one has a molecular weight of 207.27 g/mol, XLogP of 2.71, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-3-pyridinyl)-4-methylpentan-1-one is sourced from PubChem (CID 105087086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).