2-(chloromethyl)-5-(2-phenylethoxy)-1H-pyridin-4-one

C14H14ClNO2 — CID 82063819

IUPAC2-(chloromethyl)-5-(2-phenylethoxy)-1H-pyridin-4-one
SMILESO=c1cc(CCl)[nH]cc1OCCc1ccccc1
InChIInChI=1S/C14H14ClNO2/c15-9-12-8-13(17)14(10-16-12)18-7-6-11-4-2-1-3-5-11/h1-5,8,10H,6-7,9H2,(H,16,17)
InChIKeyLRARWEVEDIXVOP-UHFFFAOYSA-N
MW263.72 g/mol
LogP2.74
Rot. Bonds5

About 2-(chloromethyl)-5-(2-phenylethoxy)-1H-pyridin-4-one

2-(chloromethyl)-5-(2-phenylethoxy)-1H-pyridin-4-one (PubChem CID 82063819) has the molecular formula C14H14ClNO2 and a molecular weight of 263.72 g/mol. Its IUPAC name is 2-(chloromethyl)-5-(2-phenylethoxy)-1H-pyridin-4-one.

Molecular Properties

Compound Name2-(chloromethyl)-5-(2-phenylethoxy)-1H-pyridin-4-one
PubChem CID82063819
Molecular FormulaC14H14ClNO2
Molecular Weight263.72 g/mol
Exact Mass263.07
IUPAC Name2-(chloromethyl)-5-(2-phenylethoxy)-1H-pyridin-4-one
SMILESO=c1cc(CCl)[nH]cc1OCCc1ccccc1
InChIInChI=1S/C14H14ClNO2/c15-9-12-8-13(17)14(10-16-12)18-7-6-11-4-2-1-3-5-11/h1-5,8,10H,6-7,9H2,(H,16,17)
InChIKeyLRARWEVEDIXVOP-UHFFFAOYSA-N
XLogP2.74
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.72
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(chloromethyl)-5-pentoxy-1H-pyridin-4-one
CID 82063817
5-phenylmethoxy-2-(2-pyrrolidin-1-ylethyl)-1H-pyridin-4-one
CID 15077302
2,5-bis(phenylmethoxy)-1H-pyridin-4-one
CID 54191068
2-(hydroxymethyl)-5-(3-hydroxypropoxy)-1H-pyridin-4-one
CID 82063902
4-chloro-2-(2-phenylethoxy)benzoic acid
CID 61379685
4-[[5-chloro-2-(2-phenylethoxy)phenyl]methylamino]-4-oxobutanoic acid
CID 20988918
5-hydroxy-2-methyl-1H-pyridin-4-one;2-methyl-5-phenylmethoxy-1H-pyridin-4-one;hydrochloride
CID 161262115
methyl 2-[(4-oxo-5-propoxy-1H-pyridin-2-yl)methylsulfinyl]-2-phenylacetate
CID 123123605
2-[5-chloro-2-(3-phenylpropoxy)phenyl]acetic acid
CID 10638258
2-[(4-methylphenyl)methylsulfinylmethyl]-5-propoxy-1H-pyridin-4-one
CID 123104840
1-amino-7-chloro-4-hydroxy-2-(2-phenylethoxy)anthracene-9,10-dione
CID 57038615
5-chloro-3-phenylmethoxy-1H-pyridin-2-one
CID 70036977

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-5-(2-phenylethoxy)-1H-pyridin-4-one?
The IUPAC name of 2-(chloromethyl)-5-(2-phenylethoxy)-1H-pyridin-4-one (CID 82063819) is 2-(chloromethyl)-5-(2-phenylethoxy)-1H-pyridin-4-one.
What is the SMILES notation for 2-(chloromethyl)-5-(2-phenylethoxy)-1H-pyridin-4-one?
The canonical SMILES for 2-(chloromethyl)-5-(2-phenylethoxy)-1H-pyridin-4-one is O=c1cc(CCl)[nH]cc1OCCc1ccccc1.
What is the InChIKey of 2-(chloromethyl)-5-(2-phenylethoxy)-1H-pyridin-4-one?
The InChIKey is LRARWEVEDIXVOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO2/c15-9-12-8-13(17)14(10-16-12)18-7-6-11-4-2-1-3-5-11/h1-5,8,10H,6-7,9H2,(H,16,17).
What are the key properties of 2-(chloromethyl)-5-(2-phenylethoxy)-1H-pyridin-4-one?
2-(chloromethyl)-5-(2-phenylethoxy)-1H-pyridin-4-one has a molecular weight of 263.72 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-5-(2-phenylethoxy)-1H-pyridin-4-one is sourced from PubChem (CID 82063819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).