4-(5-methoxy-3-pyridinyl)butan-2-one

C10H13NO2 — CID 69229885

IUPAC4-(5-methoxy-3-pyridinyl)butan-2-one
SMILESCOc1cncc(CCC(C)=O)c1
InChIInChI=1S/C10H13NO2/c1-8(12)3-4-9-5-10(13-2)7-11-6-9/h5-7H,3-4H2,1-2H3
InChIKeyPNPAMJXDWKUHGR-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.61
Rot. Bonds4

About 4-(5-methoxy-3-pyridinyl)butan-2-one

4-(5-methoxy-3-pyridinyl)butan-2-one (PubChem CID 69229885) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is 4-(5-methoxy-3-pyridinyl)butan-2-one.

Molecular Properties

Compound Name4-(5-methoxy-3-pyridinyl)butan-2-one
PubChem CID69229885
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name4-(5-methoxy-3-pyridinyl)butan-2-one
SMILESCOc1cncc(CCC(C)=O)c1
InChIInChI=1S/C10H13NO2/c1-8(12)3-4-9-5-10(13-2)7-11-6-9/h5-7H,3-4H2,1-2H3
InChIKeyPNPAMJXDWKUHGR-UHFFFAOYSA-N
XLogP1.61
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-bromoethyl)-5-methoxypyridine
CID 22037882
(2R)-2-amino-3-(5-methoxy-3-pyridinyl)propanoic acid
CID 55268885
N-[(5-methoxy-3-pyridinyl)methyl]-3-pyridin-4-ylpropanamide
CID 126829062
N-(1-hydroxy-3-methylpentan-3-yl)-3-(5-methoxy-3-pyridinyl)propanamide
CID 110028276
N-[3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]-3-(5-methoxy-3-pyridinyl)propanamide
CID 110028029
1-[1-[(5-methoxy-3-pyridinyl)methyl]triazol-4-yl]ethanone
CID 167791255
3-methoxy-5-(2-methylpropyl)pyridine
CID 58531249
N-[(5-methoxy-3-pyridinyl)methyl]-2-methylpropanamide;molecular hydrogen
CID 171523322
N-[(5-methoxy-3-pyridinyl)methyl]-N-methylbut-2-ynamide
CID 146102156
1-(5-methoxy-3-pyridinyl)-N-methylmethanesulfonamide
CID 165445890
(E)-4-(dimethylamino)-N-[(5-methoxy-3-pyridinyl)methyl]-N-methylbut-2-enamide
CID 146098059
2-bromo-N-[(5-methoxy-3-pyridinyl)methyl]-5-methyl-1,3-thiazole-4-carboxamide
CID 171677233

Frequently Asked Questions

What is the IUPAC name of 4-(5-methoxy-3-pyridinyl)butan-2-one?
The IUPAC name of 4-(5-methoxy-3-pyridinyl)butan-2-one (CID 69229885) is 4-(5-methoxy-3-pyridinyl)butan-2-one.
What is the SMILES notation for 4-(5-methoxy-3-pyridinyl)butan-2-one?
The canonical SMILES for 4-(5-methoxy-3-pyridinyl)butan-2-one is COc1cncc(CCC(C)=O)c1.
What is the InChIKey of 4-(5-methoxy-3-pyridinyl)butan-2-one?
The InChIKey is PNPAMJXDWKUHGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c1-8(12)3-4-9-5-10(13-2)7-11-6-9/h5-7H,3-4H2,1-2H3.
What are the key properties of 4-(5-methoxy-3-pyridinyl)butan-2-one?
4-(5-methoxy-3-pyridinyl)butan-2-one has a molecular weight of 179.22 g/mol, XLogP of 1.61, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methoxy-3-pyridinyl)butan-2-one is sourced from PubChem (CID 69229885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).