1-(4,6-dimethyl-2-pyridinyl)propan-1-one

C10H13NO — CID 20718452

IUPAC1-(4,6-dimethyl-2-pyridinyl)propan-1-one
SMILESCCC(=O)c1cc(C)cc(C)n1
InChIInChI=1S/C10H13NO/c1-4-10(12)9-6-7(2)5-8(3)11-9/h5-6H,4H2,1-3H3
InChIKeyBWEXMOKYGGOMQV-UHFFFAOYSA-N
MW163.22 g/mol
LogP2.29
Rot. Bonds2

About 1-(4,6-dimethyl-2-pyridinyl)propan-1-one

1-(4,6-dimethyl-2-pyridinyl)propan-1-one (PubChem CID 20718452) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is 1-(4,6-dimethyl-2-pyridinyl)propan-1-one.

Molecular Properties

Compound Name1-(4,6-dimethyl-2-pyridinyl)propan-1-one
PubChem CID20718452
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name1-(4,6-dimethyl-2-pyridinyl)propan-1-one
SMILESCCC(=O)c1cc(C)cc(C)n1
InChIInChI=1S/C10H13NO/c1-4-10(12)9-6-7(2)5-8(3)11-9/h5-6H,4H2,1-3H3
InChIKeyBWEXMOKYGGOMQV-UHFFFAOYSA-N
XLogP2.29
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4,6-dimethylpyridine-2-carboxylic acid;1-(4,6-dimethyl-2-pyridinyl)propan-1-one;ethane
CID 158929011
1-(4,6-dimethylpyrimidin-2-yl)propan-1-one
CID 58291736
2-[(4,6-dimethylpyridine-2-carbonyl)amino]-2-ethylbutanoic acid
CID 114269512
S-tert-butyl 4,6-dimethylpyridine-2-carbothioate
CID 54031356
4,6-dimethyl-N-(1H-pyrazol-5-ylmethyl)pyridine-2-carboxamide
CID 114269658
pentane;2,4,6-trimethylpyridine
CID 162753467
sulfane;2,4,6-trimethylpyridine
CID 69294176
2-(4,6-dimethyl-2-pyridinyl)acetic acid
CID 23339817
1-(2-hydroxy-5-methyl-3-propanoylphenyl)propan-1-one
CID 71333475
1-(2-fluoro-3,5-dimethylphenyl)propan-1-one
CID 83988890
N-(2,4-dimethylphenyl)-4,6-dimethylpyridine-2-carboxamide
CID 19224341
4,6-dimethyl-N-(2-methylphenyl)pyridine-2-carboxamide
CID 19224338

Frequently Asked Questions

What is the IUPAC name of 1-(4,6-dimethyl-2-pyridinyl)propan-1-one?
The IUPAC name of 1-(4,6-dimethyl-2-pyridinyl)propan-1-one (CID 20718452) is 1-(4,6-dimethyl-2-pyridinyl)propan-1-one.
What is the SMILES notation for 1-(4,6-dimethyl-2-pyridinyl)propan-1-one?
The canonical SMILES for 1-(4,6-dimethyl-2-pyridinyl)propan-1-one is CCC(=O)c1cc(C)cc(C)n1.
What is the InChIKey of 1-(4,6-dimethyl-2-pyridinyl)propan-1-one?
The InChIKey is BWEXMOKYGGOMQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO/c1-4-10(12)9-6-7(2)5-8(3)11-9/h5-6H,4H2,1-3H3.
What are the key properties of 1-(4,6-dimethyl-2-pyridinyl)propan-1-one?
1-(4,6-dimethyl-2-pyridinyl)propan-1-one has a molecular weight of 163.22 g/mol, XLogP of 2.29, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-dimethyl-2-pyridinyl)propan-1-one is sourced from PubChem (CID 20718452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).