1-[4-chloro-2-(2,5-dimethoxy-4-pyridinyl)phenyl]ethanone

C15H14ClNO3 — CID 134323813

IUPAC1-[4-chloro-2-(2,5-dimethoxy-4-pyridinyl)phenyl]ethanone
SMILESCOc1cc(-c2cc(Cl)ccc2C(C)=O)c(OC)cn1
InChIInChI=1S/C15H14ClNO3/c1-9(18)11-5-4-10(16)6-12(11)13-7-15(20-3)17-8-14(13)19-2/h4-8H,1-3H3
InChIKeyVOKAEJLSRIKUBB-UHFFFAOYSA-N
MW291.73 g/mol
LogP3.62
Rot. Bonds4

About 1-[4-chloro-2-(2,5-dimethoxy-4-pyridinyl)phenyl]ethanone

1-[4-chloro-2-(2,5-dimethoxy-4-pyridinyl)phenyl]ethanone (PubChem CID 134323813) has the molecular formula C15H14ClNO3 and a molecular weight of 291.73 g/mol. Its IUPAC name is 1-[4-chloro-2-(2,5-dimethoxy-4-pyridinyl)phenyl]ethanone.

Molecular Properties

Compound Name1-[4-chloro-2-(2,5-dimethoxy-4-pyridinyl)phenyl]ethanone
PubChem CID134323813
Molecular FormulaC15H14ClNO3
Molecular Weight291.73 g/mol
Exact Mass291.07
IUPAC Name1-[4-chloro-2-(2,5-dimethoxy-4-pyridinyl)phenyl]ethanone
SMILESCOc1cc(-c2cc(Cl)ccc2C(C)=O)c(OC)cn1
InChIInChI=1S/C15H14ClNO3/c1-9(18)11-5-4-10(16)6-12(11)13-7-15(20-3)17-8-14(13)19-2/h4-8H,1-3H3
InChIKeyVOKAEJLSRIKUBB-UHFFFAOYSA-N
XLogP3.62
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.73
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(5-chloro-2-fluorophenyl)-2,5-dimethoxypyridine
CID 118978136
methyl 5-(2-chloro-5-methoxy-4-pyridinyl)-2-methoxypyridine-4-carboxylate
CID 166163088
(2-acetyl-5-methylphenyl) 5-chloro-2-methoxybenzoate
CID 50889272
4-(3-chloro-2-fluorophenyl)-2,5-dimethoxypyridine
CID 175182286
2-[4-(2-acetyl-5-chlorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-N-(4-methylphenyl)acetamide
CID 138655942
1-[4-(4-chlorophenyl)-2-methoxyphenyl]ethanone
CID 159226869
4-chloro-2-(2-methoxyphenyl)benzoic acid
CID 53225407
5-chloro-2-methoxybenzoate
CID 6933314
4-acetyl-6-(5-chloro-2-methoxyphenyl)-2-ethylpyridazin-3-one
CID 82445266
4-(4-chlorophenyl)-2-methoxy-5-methylpyridine
CID 126625290
2-acetyl-5-chlorobenzoic acid
CID 11229391
2-[4-(2-acetyl-5-chlorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-N-(4-methylphenyl)butanamide
CID 138656592

Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-2-(2,5-dimethoxy-4-pyridinyl)phenyl]ethanone?
The IUPAC name of 1-[4-chloro-2-(2,5-dimethoxy-4-pyridinyl)phenyl]ethanone (CID 134323813) is 1-[4-chloro-2-(2,5-dimethoxy-4-pyridinyl)phenyl]ethanone.
What is the SMILES notation for 1-[4-chloro-2-(2,5-dimethoxy-4-pyridinyl)phenyl]ethanone?
The canonical SMILES for 1-[4-chloro-2-(2,5-dimethoxy-4-pyridinyl)phenyl]ethanone is COc1cc(-c2cc(Cl)ccc2C(C)=O)c(OC)cn1.
What is the InChIKey of 1-[4-chloro-2-(2,5-dimethoxy-4-pyridinyl)phenyl]ethanone?
The InChIKey is VOKAEJLSRIKUBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO3/c1-9(18)11-5-4-10(16)6-12(11)13-7-15(20-3)17-8-14(13)19-2/h4-8H,1-3H3.
What are the key properties of 1-[4-chloro-2-(2,5-dimethoxy-4-pyridinyl)phenyl]ethanone?
1-[4-chloro-2-(2,5-dimethoxy-4-pyridinyl)phenyl]ethanone has a molecular weight of 291.73 g/mol, XLogP of 3.62, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-2-(2,5-dimethoxy-4-pyridinyl)phenyl]ethanone is sourced from PubChem (CID 134323813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).