1-pyridin-3-ylethanone;hydrochloride

C7H8ClNO — CID 69233376

IUPAC1-pyridin-3-ylethanone;hydrochloride
SMILESCC(=O)c1cccnc1.Cl
InChIInChI=1S/C7H7NO.ClH/c1-6(9)7-3-2-4-8-5-7;/h2-5H,1H3;1H
InChIKeyGFPKJHASUZCPRI-UHFFFAOYSA-N
MW157.60 g/mol
LogP1.71
Rot. Bonds1

About 1-pyridin-3-ylethanone;hydrochloride

1-pyridin-3-ylethanone;hydrochloride (PubChem CID 69233376) has the molecular formula C7H8ClNO and a molecular weight of 157.60 g/mol. Its IUPAC name is 1-pyridin-3-ylethanone;hydrochloride.

Molecular Properties

Compound Name1-pyridin-3-ylethanone;hydrochloride
PubChem CID69233376
Molecular FormulaC7H8ClNO
Molecular Weight157.60 g/mol
Exact Mass157.03
IUPAC Name1-pyridin-3-ylethanone;hydrochloride
SMILESCC(=O)c1cccnc1.Cl
InChIInChI=1S/C7H7NO.ClH/c1-6(9)7-3-2-4-8-5-7;/h2-5H,1H3;1H
InChIKeyGFPKJHASUZCPRI-UHFFFAOYSA-N
XLogP1.71
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.60
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

formonitrile;1-pyridin-3-ylethanone
CID 174750729
1-(5-pyridin-3-yl-3-pyridinyl)ethanone
CID 20802831
2-(5-acetyl-2-pyridinyl)-1-pyridin-3-ylethanone
CID 149217714
(Z)-3-methylsulfanyl-1-pyridin-3-ylbut-2-en-1-one;1-pyridin-3-ylethanone
CID 159777179
dimethyl carbonate;methyl 3-oxo-3-pyridin-3-ylpropanoate;1-pyridin-3-ylethanone
CID 160688200
1-pyridin-3-ylethanethione
CID 11815891
CID 157283677
CID 157283677
1-phenyl-2-pyridin-3-ylethane-1,2-dione
CID 10987556
CID 131854915
CID 131854915
nickel;pyridine-3-carboxylic acid
CID 174049937
N-methylpyridine-3-carboxamide chloride
CID 20976730
(111C)methyl pyridine-3-carboxylate
CID 11309537

Frequently Asked Questions

What is the IUPAC name of 1-pyridin-3-ylethanone;hydrochloride?
The IUPAC name of 1-pyridin-3-ylethanone;hydrochloride (CID 69233376) is 1-pyridin-3-ylethanone;hydrochloride.
What is the SMILES notation for 1-pyridin-3-ylethanone;hydrochloride?
The canonical SMILES for 1-pyridin-3-ylethanone;hydrochloride is CC(=O)c1cccnc1.Cl.
What is the InChIKey of 1-pyridin-3-ylethanone;hydrochloride?
The InChIKey is GFPKJHASUZCPRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO.ClH/c1-6(9)7-3-2-4-8-5-7;/h2-5H,1H3;1H.
What are the key properties of 1-pyridin-3-ylethanone;hydrochloride?
1-pyridin-3-ylethanone;hydrochloride has a molecular weight of 157.60 g/mol, XLogP of 1.71, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-3-ylethanone;hydrochloride is sourced from PubChem (CID 69233376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).