[2-(2-methoxy-2-oxoethyl)phenyl] 5-chloropyridine-3-carboxylate

C15H12ClNO4 — CID 46933527

IUPAC[2-(2-methoxy-2-oxoethyl)phenyl] 5-chloropyridine-3-carboxylate
SMILESCOC(=O)Cc1ccccc1OC(=O)c1cncc(Cl)c1
InChIInChI=1S/C15H12ClNO4/c1-20-14(18)7-10-4-2-3-5-13(10)21-15(19)11-6-12(16)9-17-8-11/h2-6,8-9H,7H2,1H3
InChIKeyZFXFEAUBNSZLQU-UHFFFAOYSA-N
MW305.72 g/mol
LogP2.67
Rot. Bonds4

About [2-(2-methoxy-2-oxoethyl)phenyl] 5-chloropyridine-3-carboxylate

[2-(2-methoxy-2-oxoethyl)phenyl] 5-chloropyridine-3-carboxylate (PubChem CID 46933527) has the molecular formula C15H12ClNO4 and a molecular weight of 305.72 g/mol. Its IUPAC name is [2-(2-methoxy-2-oxoethyl)phenyl] 5-chloropyridine-3-carboxylate.

Molecular Properties

Compound Name[2-(2-methoxy-2-oxoethyl)phenyl] 5-chloropyridine-3-carboxylate
PubChem CID46933527
Molecular FormulaC15H12ClNO4
Molecular Weight305.72 g/mol
Exact Mass305.05
IUPAC Name[2-(2-methoxy-2-oxoethyl)phenyl] 5-chloropyridine-3-carboxylate
SMILESCOC(=O)Cc1ccccc1OC(=O)c1cncc(Cl)c1
InChIInChI=1S/C15H12ClNO4/c1-20-14(18)7-10-4-2-3-5-13(10)21-15(19)11-6-12(16)9-17-8-11/h2-6,8-9H,7H2,1H3
InChIKeyZFXFEAUBNSZLQU-UHFFFAOYSA-N
XLogP2.67
TPSA65.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.72
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[2-(2-oxopropyl)phenyl] 3-chlorobenzoate
CID 687479
methyl 2-(5-chloro-3-pyridinyl)acetate
CID 91594815
2-[2-[(5-chloro-3-pyridinyl)oxy]phenyl]acetic acid
CID 21078394
1-(5-chloro-3-pyridinyl)-2-methylpropan-1-one
CID 131025177
5-[[2-(2-methoxyphenyl)acetyl]amino]pyridine-3-carboxylic acid
CID 63153455
methyl 2-(2-methylsulfonyloxyphenyl)acetate
CID 140986015
methyl 2-(2-octoxyphenyl)acetate
CID 70186261
(2-ethylphenyl) 6-methoxypyridine-3-carboxylate
CID 78826820
[2-[2-(1-iodoethoxy)-2-oxoethyl]phenyl] benzoate
CID 172566863
(2-methoxyphenyl) 5,6-dichloropyridine-3-carboxylate
CID 8778526
2-(2-methoxy-2-oxoethyl)phenolate
CID 19356399
[2-[2-[chloro(phenyl)methoxy]-2-oxoethyl]phenyl] benzoate
CID 172567177

Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxy-2-oxoethyl)phenyl] 5-chloropyridine-3-carboxylate?
The IUPAC name of [2-(2-methoxy-2-oxoethyl)phenyl] 5-chloropyridine-3-carboxylate (CID 46933527) is [2-(2-methoxy-2-oxoethyl)phenyl] 5-chloropyridine-3-carboxylate.
What is the SMILES notation for [2-(2-methoxy-2-oxoethyl)phenyl] 5-chloropyridine-3-carboxylate?
The canonical SMILES for [2-(2-methoxy-2-oxoethyl)phenyl] 5-chloropyridine-3-carboxylate is COC(=O)Cc1ccccc1OC(=O)c1cncc(Cl)c1.
What is the InChIKey of [2-(2-methoxy-2-oxoethyl)phenyl] 5-chloropyridine-3-carboxylate?
The InChIKey is ZFXFEAUBNSZLQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClNO4/c1-20-14(18)7-10-4-2-3-5-13(10)21-15(19)11-6-12(16)9-17-8-11/h2-6,8-9H,7H2,1H3.
What are the key properties of [2-(2-methoxy-2-oxoethyl)phenyl] 5-chloropyridine-3-carboxylate?
[2-(2-methoxy-2-oxoethyl)phenyl] 5-chloropyridine-3-carboxylate has a molecular weight of 305.72 g/mol, XLogP of 2.67, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methoxy-2-oxoethyl)phenyl] 5-chloropyridine-3-carboxylate is sourced from PubChem (CID 46933527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).