2-[5-(2,5-dichlorophenyl)-2-oxo-1H-pyridin-3-yl]acetic acid

C13H9Cl2NO3 — CID 133093162

IUPAC2-[5-(2,5-dichlorophenyl)-2-oxo-1H-pyridin-3-yl]acetic acid
SMILESO=C(O)Cc1cc(-c2cc(Cl)ccc2Cl)c[nH]c1=O
InChIInChI=1S/C13H9Cl2NO3/c14-9-1-2-11(15)10(5-9)8-3-7(4-12(17)18)13(19)16-6-8/h1-3,5-6H,4H2,(H,16,19)(H,17,18)
InChIKeySPIDTSWKESPCNU-UHFFFAOYSA-N
MW298.12 g/mol
LogP2.98
Rot. Bonds3

About 2-[5-(2,5-dichlorophenyl)-2-oxo-1H-pyridin-3-yl]acetic acid

2-[5-(2,5-dichlorophenyl)-2-oxo-1H-pyridin-3-yl]acetic acid (PubChem CID 133093162) has the molecular formula C13H9Cl2NO3 and a molecular weight of 298.12 g/mol. Its IUPAC name is 2-[5-(2,5-dichlorophenyl)-2-oxo-1H-pyridin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[5-(2,5-dichlorophenyl)-2-oxo-1H-pyridin-3-yl]acetic acid
PubChem CID133093162
Molecular FormulaC13H9Cl2NO3
Molecular Weight298.12 g/mol
Exact Mass297.00
IUPAC Name2-[5-(2,5-dichlorophenyl)-2-oxo-1H-pyridin-3-yl]acetic acid
SMILESO=C(O)Cc1cc(-c2cc(Cl)ccc2Cl)c[nH]c1=O
InChIInChI=1S/C13H9Cl2NO3/c14-9-1-2-11(15)10(5-9)8-3-7(4-12(17)18)13(19)16-6-8/h1-3,5-6H,4H2,(H,16,19)(H,17,18)
InChIKeySPIDTSWKESPCNU-UHFFFAOYSA-N
XLogP2.98
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.12
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 5-(2,5-dichlorophenyl)-2-oxo-1H-pyridine-3-carboxylate
CID 133093124
2-[2-chloro-4-(2,5-dichlorophenyl)phenyl]acetic acid
CID 176516194
2-[4-[5-[(4-chlorophenyl)methyl]-6-oxo-1H-pyridin-3-yl]phenyl]acetic acid
CID 69345022
2-[5-(2,4-dichlorophenyl)-2-oxo-1H-pyridin-3-yl]acetonitrile
CID 133093069
2-[3-chloro-5-(2,5-dichlorophenyl)-2-pyridinyl]acetic acid
CID 133088297
2-[2-(2,5-dichlorophenyl)-5-methyl-4-pyridinyl]acetic acid
CID 118836144
3-(2,5-dichlorophenyl)-5-methyl-1H-pyridin-2-one
CID 133092464
2-[6-oxo-5-(2,3,5-trichlorophenyl)-1H-pyridin-3-yl]acetic acid
CID 133092620
2-[3-chloro-6-(2,5-dichlorophenyl)-2-pyridinyl]acetic acid
CID 133088320
5-chloro-2-(2,5-dichlorophenyl)benzoic acid
CID 39233778
2-[4-(2,5-dichlorophenyl)phenyl]-2-hydroxyacetic acid
CID 82040010
methyl 5-(2,4-dichlorophenyl)-2-oxo-1H-pyridine-3-carboxylate
CID 133093032

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2,5-dichlorophenyl)-2-oxo-1H-pyridin-3-yl]acetic acid?
The IUPAC name of 2-[5-(2,5-dichlorophenyl)-2-oxo-1H-pyridin-3-yl]acetic acid (CID 133093162) is 2-[5-(2,5-dichlorophenyl)-2-oxo-1H-pyridin-3-yl]acetic acid.
What is the SMILES notation for 2-[5-(2,5-dichlorophenyl)-2-oxo-1H-pyridin-3-yl]acetic acid?
The canonical SMILES for 2-[5-(2,5-dichlorophenyl)-2-oxo-1H-pyridin-3-yl]acetic acid is O=C(O)Cc1cc(-c2cc(Cl)ccc2Cl)c[nH]c1=O.
What is the InChIKey of 2-[5-(2,5-dichlorophenyl)-2-oxo-1H-pyridin-3-yl]acetic acid?
The InChIKey is SPIDTSWKESPCNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2NO3/c14-9-1-2-11(15)10(5-9)8-3-7(4-12(17)18)13(19)16-6-8/h1-3,5-6H,4H2,(H,16,19)(H,17,18).
What are the key properties of 2-[5-(2,5-dichlorophenyl)-2-oxo-1H-pyridin-3-yl]acetic acid?
2-[5-(2,5-dichlorophenyl)-2-oxo-1H-pyridin-3-yl]acetic acid has a molecular weight of 298.12 g/mol, XLogP of 2.98, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2,5-dichlorophenyl)-2-oxo-1H-pyridin-3-yl]acetic acid is sourced from PubChem (CID 133093162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).