2-[4-[5-[(4-chlorophenyl)methyl]-6-oxo-1H-pyridin-3-yl]phenyl]acetic acid

C20H16ClNO3 — CID 69345022

IUPAC2-[4-[5-[(4-chlorophenyl)methyl]-6-oxo-1H-pyridin-3-yl]phenyl]acetic acid
SMILESO=C(O)Cc1ccc(-c2c[nH]c(=O)c(Cc3ccc(Cl)cc3)c2)cc1
InChIInChI=1S/C20H16ClNO3/c21-18-7-3-13(4-8-18)9-16-11-17(12-22-20(16)25)15-5-1-14(2-6-15)10-19(23)24/h1-8,11-12H,9-10H2,(H,22,25)(H,23,24)
InChIKeyWXILBIUJYNVYMS-UHFFFAOYSA-N
MW353.81 g/mol
LogP3.91
Rot. Bonds5

About 2-[4-[5-[(4-chlorophenyl)methyl]-6-oxo-1H-pyridin-3-yl]phenyl]acetic acid

2-[4-[5-[(4-chlorophenyl)methyl]-6-oxo-1H-pyridin-3-yl]phenyl]acetic acid (PubChem CID 69345022) has the molecular formula C20H16ClNO3 and a molecular weight of 353.81 g/mol. Its IUPAC name is 2-[4-[5-[(4-chlorophenyl)methyl]-6-oxo-1H-pyridin-3-yl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[5-[(4-chlorophenyl)methyl]-6-oxo-1H-pyridin-3-yl]phenyl]acetic acid
PubChem CID69345022
Molecular FormulaC20H16ClNO3
Molecular Weight353.81 g/mol
Exact Mass353.08
IUPAC Name2-[4-[5-[(4-chlorophenyl)methyl]-6-oxo-1H-pyridin-3-yl]phenyl]acetic acid
SMILESO=C(O)Cc1ccc(-c2c[nH]c(=O)c(Cc3ccc(Cl)cc3)c2)cc1
InChIInChI=1S/C20H16ClNO3/c21-18-7-3-13(4-8-18)9-16-11-17(12-22-20(16)25)15-5-1-14(2-6-15)10-19(23)24/h1-8,11-12H,9-10H2,(H,22,25)(H,23,24)
InChIKeyWXILBIUJYNVYMS-UHFFFAOYSA-N
XLogP3.91
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.81
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[5-(2,5-dichlorophenyl)-2-oxo-1H-pyridin-3-yl]acetic acid
CID 133093162
5-(4-chlorophenyl)-2-oxo-1H-pyridine-3-carboxylic acid
CID 10014975
2-[4-(3,5-dichlorophenyl)phenyl]acetic acid
CID 2758083
2-[5-(4-chlorophenyl)-1H-indol-3-yl]acetic acid
CID 22485718
5-(4-aminophenyl)-3-[(4-chloro-2-fluorophenyl)methyl]-1H-pyridin-2-one
CID 69345475
1,3-bis[4-(4-chlorophenyl)phenyl]propan-2-one
CID 141275371
2-[4-[[3-[(4-chlorophenyl)methyl]-1H-indol-5-yl]oxy]-3,5-dimethylphenyl]acetic acid
CID 22669811
2-[2-[(4-chlorophenyl)methyl]-6-oxo-1H-pyrimidin-5-yl]acetic acid
CID 53214781
2-[3,5-dibenzyl-4-[(4-chlorophenyl)methoxy]phenyl]acetic acid
CID 175659552
2-(6-oxo-5-phenyl-1H-pyridin-3-yl)acetic acid
CID 131870509
calcium;hydride;2-(4-phenylphenyl)acetic acid
CID 174946649
2-[4-[4-(aminomethyl)phenyl]phenyl]acetic acid
CID 1394294

Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-[(4-chlorophenyl)methyl]-6-oxo-1H-pyridin-3-yl]phenyl]acetic acid?
The IUPAC name of 2-[4-[5-[(4-chlorophenyl)methyl]-6-oxo-1H-pyridin-3-yl]phenyl]acetic acid (CID 69345022) is 2-[4-[5-[(4-chlorophenyl)methyl]-6-oxo-1H-pyridin-3-yl]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[5-[(4-chlorophenyl)methyl]-6-oxo-1H-pyridin-3-yl]phenyl]acetic acid?
The canonical SMILES for 2-[4-[5-[(4-chlorophenyl)methyl]-6-oxo-1H-pyridin-3-yl]phenyl]acetic acid is O=C(O)Cc1ccc(-c2c[nH]c(=O)c(Cc3ccc(Cl)cc3)c2)cc1.
What is the InChIKey of 2-[4-[5-[(4-chlorophenyl)methyl]-6-oxo-1H-pyridin-3-yl]phenyl]acetic acid?
The InChIKey is WXILBIUJYNVYMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClNO3/c21-18-7-3-13(4-8-18)9-16-11-17(12-22-20(16)25)15-5-1-14(2-6-15)10-19(23)24/h1-8,11-12H,9-10H2,(H,22,25)(H,23,24).
What are the key properties of 2-[4-[5-[(4-chlorophenyl)methyl]-6-oxo-1H-pyridin-3-yl]phenyl]acetic acid?
2-[4-[5-[(4-chlorophenyl)methyl]-6-oxo-1H-pyridin-3-yl]phenyl]acetic acid has a molecular weight of 353.81 g/mol, XLogP of 3.91, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-[(4-chlorophenyl)methyl]-6-oxo-1H-pyridin-3-yl]phenyl]acetic acid is sourced from PubChem (CID 69345022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).