3-(chloromethyl)-1-(3-methoxypropyl)pyridin-2-one

C10H14ClNO2 — CID 82526375

IUPAC3-(chloromethyl)-1-(3-methoxypropyl)pyridin-2-one
SMILESCOCCCn1cccc(CCl)c1=O
InChIInChI=1S/C10H14ClNO2/c1-14-7-3-6-12-5-2-4-9(8-11)10(12)13/h2,4-5H,3,6-8H2,1H3
InChIKeyMMTFCYXKUBRJCX-UHFFFAOYSA-N
MW215.68 g/mol
LogP1.62
Rot. Bonds5

About 3-(chloromethyl)-1-(3-methoxypropyl)pyridin-2-one

3-(chloromethyl)-1-(3-methoxypropyl)pyridin-2-one (PubChem CID 82526375) has the molecular formula C10H14ClNO2 and a molecular weight of 215.68 g/mol. Its IUPAC name is 3-(chloromethyl)-1-(3-methoxypropyl)pyridin-2-one.

Molecular Properties

Compound Name3-(chloromethyl)-1-(3-methoxypropyl)pyridin-2-one
PubChem CID82526375
Molecular FormulaC10H14ClNO2
Molecular Weight215.68 g/mol
Exact Mass215.07
IUPAC Name3-(chloromethyl)-1-(3-methoxypropyl)pyridin-2-one
SMILESCOCCCn1cccc(CCl)c1=O
InChIInChI=1S/C10H14ClNO2/c1-14-7-3-6-12-5-2-4-9(8-11)10(12)13/h2,4-5H,3,6-8H2,1H3
InChIKeyMMTFCYXKUBRJCX-UHFFFAOYSA-N
XLogP1.62
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.68
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(ethylaminomethyl)-1-(3-methoxypropyl)pyridin-2-one
CID 82526386
2-[2-[1-(3-methoxypropyl)-2-oxo-3-pyridinyl]ethyl]isoindole-1,3-dione
CID 164570831
3-(aminomethyl)-1-[2-(2-methoxyethoxy)ethyl]pyridin-2-one
CID 107017511
3-[(2-methoxyethylamino)methyl]-1-pentylpyridin-2-one
CID 82526709
3-iodo-1-[2-(3-methoxypropoxy)ethyl]pyridin-2-one
CID 103185183
3-[amino-(4-chlorophenyl)methyl]-1-(3-methoxypropyl)pyridin-2-one
CID 82526360
3-[(butan-2-ylamino)methyl]-1-(2-methoxyethyl)pyridin-2-one
CID 82526542
3-[amino-(2,5-dimethylphenyl)methyl]-1-(3-methoxypropyl)pyridin-2-one
CID 82526362
1-pentyl-3-(sulfanylmethyl)pyridin-2-one
CID 82526701
3-[2-(ethylamino)-1,3-thiazol-4-yl]-1-(3-methoxypropyl)pyridin-2-one
CID 82526345
1-(chloromethyl)-2-(4-methoxybutoxy)benzene
CID 104648077
N-[[1-(3-methoxypropyl)pyrrol-2-yl]methyl]ethanamine
CID 66402534

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-1-(3-methoxypropyl)pyridin-2-one?
The IUPAC name of 3-(chloromethyl)-1-(3-methoxypropyl)pyridin-2-one (CID 82526375) is 3-(chloromethyl)-1-(3-methoxypropyl)pyridin-2-one.
What is the SMILES notation for 3-(chloromethyl)-1-(3-methoxypropyl)pyridin-2-one?
The canonical SMILES for 3-(chloromethyl)-1-(3-methoxypropyl)pyridin-2-one is COCCCn1cccc(CCl)c1=O.
What is the InChIKey of 3-(chloromethyl)-1-(3-methoxypropyl)pyridin-2-one?
The InChIKey is MMTFCYXKUBRJCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO2/c1-14-7-3-6-12-5-2-4-9(8-11)10(12)13/h2,4-5H,3,6-8H2,1H3.
What are the key properties of 3-(chloromethyl)-1-(3-methoxypropyl)pyridin-2-one?
3-(chloromethyl)-1-(3-methoxypropyl)pyridin-2-one has a molecular weight of 215.68 g/mol, XLogP of 1.62, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-1-(3-methoxypropyl)pyridin-2-one is sourced from PubChem (CID 82526375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).