1-(2-chloroethyl)pyridin-2-one;hydrochloride

C7H9Cl2NO — CID 12704874

IUPAC1-(2-chloroethyl)pyridin-2-one;hydrochloride
SMILESCl.O=c1ccccn1CCCl
InChIInChI=1S/C7H8ClNO.ClH/c8-4-6-9-5-2-1-3-7(9)10;/h1-3,5H,4,6H2;1H
InChIKeyDGAVJXNUDPEBCH-UHFFFAOYSA-N
MW194.06 g/mol
LogP1.51
Rot. Bonds2

About 1-(2-chloroethyl)pyridin-2-one;hydrochloride

1-(2-chloroethyl)pyridin-2-one;hydrochloride (PubChem CID 12704874) has the molecular formula C7H9Cl2NO and a molecular weight of 194.06 g/mol. Its IUPAC name is 1-(2-chloroethyl)pyridin-2-one;hydrochloride.

Molecular Properties

Compound Name1-(2-chloroethyl)pyridin-2-one;hydrochloride
PubChem CID12704874
Molecular FormulaC7H9Cl2NO
Molecular Weight194.06 g/mol
Exact Mass193.01
IUPAC Name1-(2-chloroethyl)pyridin-2-one;hydrochloride
SMILESCl.O=c1ccccn1CCCl
InChIInChI=1S/C7H8ClNO.ClH/c8-4-6-9-5-2-1-3-7(9)10;/h1-3,5H,4,6H2;1H
InChIKeyDGAVJXNUDPEBCH-UHFFFAOYSA-N
XLogP1.51
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.06
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-[5-chloro-3-(2-oxo-1-pyridinyl)pentyl]pyridin-2-one
CID 67920630
1-pent-3-ynylpyridin-2-one
CID 104743481
1-[2-[2-(2-chloroethoxy)ethylamino]ethyl]pyridin-2-one
CID 82907275
1-[2-[4-(4-chlorobut-1-ynyl)phenoxy]ethyl]pyridin-2-one
CID 82899386
1-hept-6-ynylpyridin-2-one
CID 101440080
1-[2-(5-chloropentan-2-ylamino)ethyl]pyridin-2-one
CID 82907582
1-[2-(4-chloropiperidin-1-yl)ethyl]pyridin-2-one
CID 82907199
1-[(Z)-4-(2-oxo-1-pyridinyl)but-2-enyl]pyridin-2-one
CID 67920631
1-[2-[3-chloropropyl(cyclobutyl)amino]ethyl]pyridin-2-one
CID 102860438
1-[2-[4-(3-chloropropyl)triazol-1-yl]ethyl]pyridin-2-one
CID 113374629
1-(3-methylbut-3-enyl)pyridin-2-one
CID 114476733
1-(3-methylsulfanylpropyl)pyridin-2-one
CID 115650878

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloroethyl)pyridin-2-one;hydrochloride?
The IUPAC name of 1-(2-chloroethyl)pyridin-2-one;hydrochloride (CID 12704874) is 1-(2-chloroethyl)pyridin-2-one;hydrochloride.
What is the SMILES notation for 1-(2-chloroethyl)pyridin-2-one;hydrochloride?
The canonical SMILES for 1-(2-chloroethyl)pyridin-2-one;hydrochloride is Cl.O=c1ccccn1CCCl.
What is the InChIKey of 1-(2-chloroethyl)pyridin-2-one;hydrochloride?
The InChIKey is DGAVJXNUDPEBCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClNO.ClH/c8-4-6-9-5-2-1-3-7(9)10;/h1-3,5H,4,6H2;1H.
What are the key properties of 1-(2-chloroethyl)pyridin-2-one;hydrochloride?
1-(2-chloroethyl)pyridin-2-one;hydrochloride has a molecular weight of 194.06 g/mol, XLogP of 1.51, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloroethyl)pyridin-2-one;hydrochloride is sourced from PubChem (CID 12704874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).