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

C13H19NO2 — CID 107896356

IUPAC1-(6-methoxy-3-pyridinyl)-3-methylhexan-2-one
SMILESCCCC(C)C(=O)Cc1ccc(OC)nc1
InChIInChI=1S/C13H19NO2/c1-4-5-10(2)12(15)8-11-6-7-13(16-3)14-9-11/h6-7,9-10H,4-5,8H2,1-3H3
InChIKeyRFZIOYDZEGRGPX-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.64
Rot. Bonds6

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

1-(6-methoxy-3-pyridinyl)-3-methylhexan-2-one (PubChem CID 107896356) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 1-(6-methoxy-3-pyridinyl)-3-methylhexan-2-one.

Molecular Properties

Compound Name1-(6-methoxy-3-pyridinyl)-3-methylhexan-2-one
PubChem CID107896356
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name1-(6-methoxy-3-pyridinyl)-3-methylhexan-2-one
SMILESCCCC(C)C(=O)Cc1ccc(OC)nc1
InChIInChI=1S/C13H19NO2/c1-4-5-10(2)12(15)8-11-6-7-13(16-3)14-9-11/h6-7,9-10H,4-5,8H2,1-3H3
InChIKeyRFZIOYDZEGRGPX-UHFFFAOYSA-N
XLogP2.64
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(6-methoxy-3-pyridinyl)propan-2-one
CID 19760371
4-ethyl-1-(6-methoxy-3-pyridinyl)hexan-2-one
CID 82920700
(2R)-2-[(6-methoxy-3-pyridinyl)methylcarbamoylamino]pentanoic acid
CID 107566922
ethyl 2-(6-methoxy-3-pyridinyl)acetate
CID 131699443
(2S)-1-(6-methoxy-3-pyridinyl)pentan-2-amine
CID 104932333
ethyl 2-[(6-methoxy-3-pyridinyl)methylamino]propanoate
CID 62989922
methyl 2-[(6-methoxy-3-pyridinyl)methylamino]butanoate
CID 113292334
methyl 2-[(6-methoxy-3-pyridinyl)methylamino]-3-methylpentanoate
CID 104578651
2-[(6-methoxy-3-pyridinyl)methylamino]propanamide
CID 60711228
1-(furan-3-yl)-3-(6-methoxy-3-pyridinyl)propan-2-one
CID 83171563
2-(6-propan-2-yloxy-3-pyridinyl)acetic acid
CID 84666013
1-(furan-2-yl)-3-(6-methoxy-3-pyridinyl)propan-2-one
CID 83171564

Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxy-3-pyridinyl)-3-methylhexan-2-one?
The IUPAC name of 1-(6-methoxy-3-pyridinyl)-3-methylhexan-2-one (CID 107896356) is 1-(6-methoxy-3-pyridinyl)-3-methylhexan-2-one.
What is the SMILES notation for 1-(6-methoxy-3-pyridinyl)-3-methylhexan-2-one?
The canonical SMILES for 1-(6-methoxy-3-pyridinyl)-3-methylhexan-2-one is CCCC(C)C(=O)Cc1ccc(OC)nc1.
What is the InChIKey of 1-(6-methoxy-3-pyridinyl)-3-methylhexan-2-one?
The InChIKey is RFZIOYDZEGRGPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-4-5-10(2)12(15)8-11-6-7-13(16-3)14-9-11/h6-7,9-10H,4-5,8H2,1-3H3.
What are the key properties of 1-(6-methoxy-3-pyridinyl)-3-methylhexan-2-one?
1-(6-methoxy-3-pyridinyl)-3-methylhexan-2-one has a molecular weight of 221.30 g/mol, XLogP of 2.64, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxy-3-pyridinyl)-3-methylhexan-2-one is sourced from PubChem (CID 107896356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).