1-(6-methyl-3-pyridinyl)ethanone;hydrochloride

C8H10ClNO — CID 67521674

IUPAC1-(6-methyl-3-pyridinyl)ethanone;hydrochloride
SMILESCC(=O)c1ccc(C)nc1.Cl
InChIInChI=1S/C8H9NO.ClH/c1-6-3-4-8(5-9-6)7(2)10;/h3-5H,1-2H3;1H
InChIKeyPWJKQFYEKZIQGN-UHFFFAOYSA-N
MW171.63 g/mol
LogP2.01
Rot. Bonds1

About 1-(6-methyl-3-pyridinyl)ethanone;hydrochloride

1-(6-methyl-3-pyridinyl)ethanone;hydrochloride (PubChem CID 67521674) has the molecular formula C8H10ClNO and a molecular weight of 171.63 g/mol. Its IUPAC name is 1-(6-methyl-3-pyridinyl)ethanone;hydrochloride.

Molecular Properties

Compound Name1-(6-methyl-3-pyridinyl)ethanone;hydrochloride
PubChem CID67521674
Molecular FormulaC8H10ClNO
Molecular Weight171.63 g/mol
Exact Mass171.05
IUPAC Name1-(6-methyl-3-pyridinyl)ethanone;hydrochloride
SMILESCC(=O)c1ccc(C)nc1.Cl
InChIInChI=1S/C8H9NO.ClH/c1-6-3-4-8(5-9-6)7(2)10;/h3-5H,1-2H3;1H
InChIKeyPWJKQFYEKZIQGN-UHFFFAOYSA-N
XLogP2.01
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.63
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-methoxy-N,6-dimethylpyridine-3-carboxamide;1-(6-methyl-3-pyridinyl)ethanone
CID 159365691
1-(6-methyl-3-pyridinyl)ethanethione
CID 56619669
2-(6-methyl-3-pyridinyl)-2-oxoacetamide
CID 57047401
1-(6-methyl-3-pyridinyl)ethanone;piperazine;1-(6-piperazin-1-yl-3-pyridinyl)ethanone
CID 160768600
1-(6-iodo-3-pyridinyl)ethanone
CID 23591882
2,2-difluoro-1-(6-methyl-3-pyridinyl)ethanone
CID 112574268
ethane;(4-methylphenyl)-(6-methyl-3-pyridinyl)methanone
CID 176552178
(NZ)-N-[1-(6-methyl-3-pyridinyl)ethylidene]hydroxylamine
CID 5355190
[1-(6-methyl-3-pyridinyl)ethylideneamino]carbamic acid
CID 88517112
2-hydroxy-3-methyl-1-(6-methyl-3-pyridinyl)butan-1-one
CID 103455104
2-(methylamino)-1-(6-methyl-3-pyridinyl)ethanone
CID 82596607
1-[6-(6-methyl-1,2,4,5-tetrazin-3-yl)-3-pyridinyl]ethanone
CID 118351652

Frequently Asked Questions

What is the IUPAC name of 1-(6-methyl-3-pyridinyl)ethanone;hydrochloride?
The IUPAC name of 1-(6-methyl-3-pyridinyl)ethanone;hydrochloride (CID 67521674) is 1-(6-methyl-3-pyridinyl)ethanone;hydrochloride.
What is the SMILES notation for 1-(6-methyl-3-pyridinyl)ethanone;hydrochloride?
The canonical SMILES for 1-(6-methyl-3-pyridinyl)ethanone;hydrochloride is CC(=O)c1ccc(C)nc1.Cl.
What is the InChIKey of 1-(6-methyl-3-pyridinyl)ethanone;hydrochloride?
The InChIKey is PWJKQFYEKZIQGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO.ClH/c1-6-3-4-8(5-9-6)7(2)10;/h3-5H,1-2H3;1H.
What are the key properties of 1-(6-methyl-3-pyridinyl)ethanone;hydrochloride?
1-(6-methyl-3-pyridinyl)ethanone;hydrochloride has a molecular weight of 171.63 g/mol, XLogP of 2.01, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methyl-3-pyridinyl)ethanone;hydrochloride is sourced from PubChem (CID 67521674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).