2-(2-oxo-1-pyridinyl)ethyl 3-(3-chlorophenyl)propanoate

C16H16ClNO3 — CID 86865806

IUPAC2-(2-oxo-1-pyridinyl)ethyl 3-(3-chlorophenyl)propanoate
SMILESO=C(CCc1cccc(Cl)c1)OCCn1ccccc1=O
InChIInChI=1S/C16H16ClNO3/c17-14-5-3-4-13(12-14)7-8-16(20)21-11-10-18-9-2-1-6-15(18)19/h1-6,9,12H,7-8,10-11H2
InChIKeyBLGUKZNBLYDZTN-UHFFFAOYSA-N
MW305.76 g/mol
LogP2.68
Rot. Bonds6

About 2-(2-oxo-1-pyridinyl)ethyl 3-(3-chlorophenyl)propanoate

2-(2-oxo-1-pyridinyl)ethyl 3-(3-chlorophenyl)propanoate (PubChem CID 86865806) has the molecular formula C16H16ClNO3 and a molecular weight of 305.76 g/mol. Its IUPAC name is 2-(2-oxo-1-pyridinyl)ethyl 3-(3-chlorophenyl)propanoate.

Molecular Properties

Compound Name2-(2-oxo-1-pyridinyl)ethyl 3-(3-chlorophenyl)propanoate
PubChem CID86865806
Molecular FormulaC16H16ClNO3
Molecular Weight305.76 g/mol
Exact Mass305.08
IUPAC Name2-(2-oxo-1-pyridinyl)ethyl 3-(3-chlorophenyl)propanoate
SMILESO=C(CCc1cccc(Cl)c1)OCCn1ccccc1=O
InChIInChI=1S/C16H16ClNO3/c17-14-5-3-4-13(12-14)7-8-16(20)21-11-10-18-9-2-1-6-15(18)19/h1-6,9,12H,7-8,10-11H2
InChIKeyBLGUKZNBLYDZTN-UHFFFAOYSA-N
XLogP2.68
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.76
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-methylsulfanylethyl 3-(3-chlorophenyl)propanoate
CID 78832630
2-(3-chlorophenyl)ethyl pentanoate
CID 141256814
2-phenylethyl 3-[3-[3-oxo-3-(2-phenylethoxy)propyl]phenyl]propanoate
CID 162059275
1-[2-[4-(3-oxobutyl)phenoxy]ethyl]pyridin-2-one
CID 82898830
(3-chlorophenyl) 3-(3-chlorophenyl)propanoate
CID 1407466
4-O-[2-(3-chlorophenyl)ethyl] 1-O-heptyl butanedioate
CID 91716065
2-(pyridine-4-carbonylamino)ethyl 3-(3-chlorophenyl)propanoate
CID 52708800
2-[1-[2-(3-chlorophenyl)ethyl]pyrrol-2-yl]ethanamine
CID 95459676
3-(3-chlorophenoxy)-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]propanamide
CID 55881604
3-(3-chlorophenyl)propanoate
CID 6946708
3-(2-oxo-1-pyridinyl)propanehydrazide
CID 43346089
2-(3-chlorophenyl)ethyl 2,2,2-trifluoroacetate
CID 91482736

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-1-pyridinyl)ethyl 3-(3-chlorophenyl)propanoate?
The IUPAC name of 2-(2-oxo-1-pyridinyl)ethyl 3-(3-chlorophenyl)propanoate (CID 86865806) is 2-(2-oxo-1-pyridinyl)ethyl 3-(3-chlorophenyl)propanoate.
What is the SMILES notation for 2-(2-oxo-1-pyridinyl)ethyl 3-(3-chlorophenyl)propanoate?
The canonical SMILES for 2-(2-oxo-1-pyridinyl)ethyl 3-(3-chlorophenyl)propanoate is O=C(CCc1cccc(Cl)c1)OCCn1ccccc1=O.
What is the InChIKey of 2-(2-oxo-1-pyridinyl)ethyl 3-(3-chlorophenyl)propanoate?
The InChIKey is BLGUKZNBLYDZTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO3/c17-14-5-3-4-13(12-14)7-8-16(20)21-11-10-18-9-2-1-6-15(18)19/h1-6,9,12H,7-8,10-11H2.
What are the key properties of 2-(2-oxo-1-pyridinyl)ethyl 3-(3-chlorophenyl)propanoate?
2-(2-oxo-1-pyridinyl)ethyl 3-(3-chlorophenyl)propanoate has a molecular weight of 305.76 g/mol, XLogP of 2.68, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-1-pyridinyl)ethyl 3-(3-chlorophenyl)propanoate is sourced from PubChem (CID 86865806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).