2-(6-methoxy-2-pyridinyl)pentan-3-one

C11H15NO2 — CID 63586128

IUPAC2-(6-methoxy-2-pyridinyl)pentan-3-one
SMILESCCC(=O)C(C)c1cccc(OC)n1
InChIInChI=1S/C11H15NO2/c1-4-10(13)8(2)9-6-5-7-11(12-9)14-3/h5-8H,4H2,1-3H3
InChIKeyBFJDPAIMLBZYNV-UHFFFAOYSA-N
MW193.25 g/mol
LogP2.17
Rot. Bonds4

About 2-(6-methoxy-2-pyridinyl)pentan-3-one

2-(6-methoxy-2-pyridinyl)pentan-3-one (PubChem CID 63586128) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 2-(6-methoxy-2-pyridinyl)pentan-3-one.

Molecular Properties

Compound Name2-(6-methoxy-2-pyridinyl)pentan-3-one
PubChem CID63586128
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name2-(6-methoxy-2-pyridinyl)pentan-3-one
SMILESCCC(=O)C(C)c1cccc(OC)n1
InChIInChI=1S/C11H15NO2/c1-4-10(13)8(2)9-6-5-7-11(12-9)14-3/h5-8H,4H2,1-3H3
InChIKeyBFJDPAIMLBZYNV-UHFFFAOYSA-N
XLogP2.17
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(6-methoxy-2-pyridinyl)-2-methylpentan-3-one
CID 79416635
3-(6-methoxy-2-pyridinyl)butanamide
CID 50995844
2-(4-methoxypyrimidin-2-yl)pentan-3-one
CID 63549810
1-(6-methoxy-2-pyridinyl)propan-1-ol
CID 103348126
2-amino-1-(6-methoxy-2-pyridinyl)propan-1-ol
CID 82654871
3-(6-methoxy-2-pyridinyl)butan-2-ol
CID 63588761
2-(6-methoxy-2-pyridinyl)pentan-3-amine
CID 63587617
3-amino-1-(6-methoxy-2-pyridinyl)-2-methylpropan-1-ol
CID 103348723
2-(dimethoxymethyl)-6-methoxypyridine;methanesulfonic acid
CID 174787510
2,3-dihydroxy-3-(6-methoxy-2-pyridinyl)propanamide
CID 171867949
2-(6-methoxy-2-pyridinyl)propanedial
CID 89007961
(1S,2S)-1-iodo-1-(6-methoxy-2-pyridinyl)propan-2-ol
CID 137495708

Frequently Asked Questions

What is the IUPAC name of 2-(6-methoxy-2-pyridinyl)pentan-3-one?
The IUPAC name of 2-(6-methoxy-2-pyridinyl)pentan-3-one (CID 63586128) is 2-(6-methoxy-2-pyridinyl)pentan-3-one.
What is the SMILES notation for 2-(6-methoxy-2-pyridinyl)pentan-3-one?
The canonical SMILES for 2-(6-methoxy-2-pyridinyl)pentan-3-one is CCC(=O)C(C)c1cccc(OC)n1.
What is the InChIKey of 2-(6-methoxy-2-pyridinyl)pentan-3-one?
The InChIKey is BFJDPAIMLBZYNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-4-10(13)8(2)9-6-5-7-11(12-9)14-3/h5-8H,4H2,1-3H3.
What are the key properties of 2-(6-methoxy-2-pyridinyl)pentan-3-one?
2-(6-methoxy-2-pyridinyl)pentan-3-one has a molecular weight of 193.25 g/mol, XLogP of 2.17, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methoxy-2-pyridinyl)pentan-3-one is sourced from PubChem (CID 63586128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).