1-(3,4-dimethyl-2-pyridinyl)ethanone

C9H11NO — CID 23003457

IUPAC1-(3,4-dimethyl-2-pyridinyl)ethanone
SMILESCC(=O)c1nccc(C)c1C
InChIInChI=1S/C9H11NO/c1-6-4-5-10-9(7(6)2)8(3)11/h4-5H,1-3H3
InChIKeyCTTNXBRQVFGEAR-UHFFFAOYSA-N
MW149.19 g/mol
LogP1.90
Rot. Bonds1

About 1-(3,4-dimethyl-2-pyridinyl)ethanone

1-(3,4-dimethyl-2-pyridinyl)ethanone (PubChem CID 23003457) has the molecular formula C9H11NO and a molecular weight of 149.19 g/mol. Its IUPAC name is 1-(3,4-dimethyl-2-pyridinyl)ethanone.

Molecular Properties

Compound Name1-(3,4-dimethyl-2-pyridinyl)ethanone
PubChem CID23003457
Molecular FormulaC9H11NO
Molecular Weight149.19 g/mol
Exact Mass149.08
IUPAC Name1-(3,4-dimethyl-2-pyridinyl)ethanone
SMILESCC(=O)c1nccc(C)c1C
InChIInChI=1S/C9H11NO/c1-6-4-5-10-9(7(6)2)8(3)11/h4-5H,1-3H3
InChIKeyCTTNXBRQVFGEAR-UHFFFAOYSA-N
XLogP1.90
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.19
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-dimethylpyridine-2-carboxamide;hydrochloride
CID 118095739
1-(4-methoxy-3-methyl-2-pyridinyl)ethanone
CID 84652084
1-(3-acetylpyrazin-2-yl)ethanone
CID 22166162
1-(4-methylpyridazin-3-yl)ethanone
CID 171497098
1-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanone
CID 142637848
(2-acetyl-4-methoxy-3-pyridinyl) acetate
CID 58914368
1-(1,6-naphthyridin-5-yl)ethanone
CID 130047665
methyl 3-fluoro-4-methylpyridine-2-carboxylate
CID 130618402
4-methyl-3-(methylamino)pyridine-2-carboxylic acid
CID 169147697
1-(3-iodo-2-pyridinyl)ethanone
CID 69164908
1-(3-bromopyrazin-2-yl)ethanone
CID 154466842
1-thieno[3,2-c]pyridin-4-ylethanone
CID 130047659

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethyl-2-pyridinyl)ethanone?
The IUPAC name of 1-(3,4-dimethyl-2-pyridinyl)ethanone (CID 23003457) is 1-(3,4-dimethyl-2-pyridinyl)ethanone.
What is the SMILES notation for 1-(3,4-dimethyl-2-pyridinyl)ethanone?
The canonical SMILES for 1-(3,4-dimethyl-2-pyridinyl)ethanone is CC(=O)c1nccc(C)c1C.
What is the InChIKey of 1-(3,4-dimethyl-2-pyridinyl)ethanone?
The InChIKey is CTTNXBRQVFGEAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO/c1-6-4-5-10-9(7(6)2)8(3)11/h4-5H,1-3H3.
What are the key properties of 1-(3,4-dimethyl-2-pyridinyl)ethanone?
1-(3,4-dimethyl-2-pyridinyl)ethanone has a molecular weight of 149.19 g/mol, XLogP of 1.90, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethyl-2-pyridinyl)ethanone is sourced from PubChem (CID 23003457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).