1-(6-methoxy-2-pyridinyl)-2-methylpentan-3-one

C12H17NO2 — CID 79416635

IUPAC1-(6-methoxy-2-pyridinyl)-2-methylpentan-3-one
SMILESCCC(=O)C(C)Cc1cccc(OC)n1
InChIInChI=1S/C12H17NO2/c1-4-11(14)9(2)8-10-6-5-7-12(13-10)15-3/h5-7,9H,4,8H2,1-3H3
InChIKeyCCVRGRUGUUWOTL-UHFFFAOYSA-N
MW207.27 g/mol
LogP2.25
Rot. Bonds5

About 1-(6-methoxy-2-pyridinyl)-2-methylpentan-3-one

1-(6-methoxy-2-pyridinyl)-2-methylpentan-3-one (PubChem CID 79416635) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 1-(6-methoxy-2-pyridinyl)-2-methylpentan-3-one.

Molecular Properties

Compound Name1-(6-methoxy-2-pyridinyl)-2-methylpentan-3-one
PubChem CID79416635
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name1-(6-methoxy-2-pyridinyl)-2-methylpentan-3-one
SMILESCCC(=O)C(C)Cc1cccc(OC)n1
InChIInChI=1S/C12H17NO2/c1-4-11(14)9(2)8-10-6-5-7-12(13-10)15-3/h5-7,9H,4,8H2,1-3H3
InChIKeyCCVRGRUGUUWOTL-UHFFFAOYSA-N
XLogP2.25
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 ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(6-methoxy-2-pyridinyl)pentan-3-one
CID 63586128
3-(6-methoxy-2-pyridinyl)-2-phenylpropanoic acid
CID 79424872
2-(aminomethyl)-3-(6-methoxy-2-pyridinyl)propanamide
CID 103347793
2-ethyl-6-methoxypyridine;formic acid
CID 175480647
1-(6-methoxy-2-pyridinyl)-N,3-dimethylbutan-2-amine
CID 63588562
methyl 2-[(6-methoxy-2-pyridinyl)methylamino]propanoate
CID 63986668
3-[ethyl-[(6-methoxy-2-pyridinyl)methyl]amino]butanoic acid
CID 63986715
6-amino-2-[(6-methoxy-2-pyridinyl)methyl]hexanoic acid
CID 113440531
ethyl 2-[(6-methoxy-2-pyridinyl)methyl-propan-2-ylamino]acetate
CID 63985132
1-[4-[(6-methoxy-2-pyridinyl)methoxy]phenyl]propan-1-one
CID 63984310
6-[(6-methoxy-2-pyridinyl)methylamino]-2-methylheptanoic acid
CID 65288719
2-(4-methoxypyrimidin-2-yl)pentan-3-one
CID 63549810

Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxy-2-pyridinyl)-2-methylpentan-3-one?
The IUPAC name of 1-(6-methoxy-2-pyridinyl)-2-methylpentan-3-one (CID 79416635) is 1-(6-methoxy-2-pyridinyl)-2-methylpentan-3-one.
What is the SMILES notation for 1-(6-methoxy-2-pyridinyl)-2-methylpentan-3-one?
The canonical SMILES for 1-(6-methoxy-2-pyridinyl)-2-methylpentan-3-one is CCC(=O)C(C)Cc1cccc(OC)n1.
What is the InChIKey of 1-(6-methoxy-2-pyridinyl)-2-methylpentan-3-one?
The InChIKey is CCVRGRUGUUWOTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-4-11(14)9(2)8-10-6-5-7-12(13-10)15-3/h5-7,9H,4,8H2,1-3H3.
What are the key properties of 1-(6-methoxy-2-pyridinyl)-2-methylpentan-3-one?
1-(6-methoxy-2-pyridinyl)-2-methylpentan-3-one has a molecular weight of 207.27 g/mol, XLogP of 2.25, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxy-2-pyridinyl)-2-methylpentan-3-one is sourced from PubChem (CID 79416635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).