2-[4-(2,6-dimethyl-4-oxo-1-pyridinyl)phenyl]acetic acid

C15H15NO3 — CID 79023796

IUPAC2-[4-(2,6-dimethyl-4-oxo-1-pyridinyl)phenyl]acetic acid
SMILESCc1cc(=O)cc(C)n1-c1ccc(CC(=O)O)cc1
InChIInChI=1S/C15H15NO3/c1-10-7-14(17)8-11(2)16(10)13-5-3-12(4-6-13)9-15(18)19/h3-8H,9H2,1-2H3,(H,18,19)
InChIKeySCKCEWULMDHYCO-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.08
Rot. Bonds3

About 2-[4-(2,6-dimethyl-4-oxo-1-pyridinyl)phenyl]acetic acid

2-[4-(2,6-dimethyl-4-oxo-1-pyridinyl)phenyl]acetic acid (PubChem CID 79023796) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is 2-[4-(2,6-dimethyl-4-oxo-1-pyridinyl)phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-(2,6-dimethyl-4-oxo-1-pyridinyl)phenyl]acetic acid
PubChem CID79023796
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Name2-[4-(2,6-dimethyl-4-oxo-1-pyridinyl)phenyl]acetic acid
SMILESCc1cc(=O)cc(C)n1-c1ccc(CC(=O)O)cc1
InChIInChI=1S/C15H15NO3/c1-10-7-14(17)8-11(2)16(10)13-5-3-12(4-6-13)9-15(18)19/h3-8H,9H2,1-2H3,(H,18,19)
InChIKeySCKCEWULMDHYCO-UHFFFAOYSA-N
XLogP2.08
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Actarit
CID 2018
4-(Bis(2-chloroethyl)amino)benzeneacetic acid
CID 25306
3-hydroxy-1,2-dimethylquinolin-4(1H)-one
CID 9549928
Acetic acid, 2-(p-(benzylamino)phenyl)-
CID 38320
Acetic acid, 4-piperidinophenyl-
CID 38363
Methyl(4-piperidinophenyl)acetic acid
CID 213515
4-N,N-dimethylaminophenylacetic acid
CID 152203
2-(4-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)phenyl)acetic acid
CID 16780847
2-(4-(Dimethylamino)phenyl)succinic acid
CID 4670834
Acetic acid, 2-(p-(isopropylamino)phenyl)-
CID 34048
Acetic acid, 2-(p-(allylamino)phenyl)-
CID 38316
Acetic acid, 2-(p-(ethylamino)phenyl)-
CID 38317

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,6-dimethyl-4-oxo-1-pyridinyl)phenyl]acetic acid?
The IUPAC name of 2-[4-(2,6-dimethyl-4-oxo-1-pyridinyl)phenyl]acetic acid (CID 79023796) is 2-[4-(2,6-dimethyl-4-oxo-1-pyridinyl)phenyl]acetic acid.
What is the SMILES notation for 2-[4-(2,6-dimethyl-4-oxo-1-pyridinyl)phenyl]acetic acid?
The canonical SMILES for 2-[4-(2,6-dimethyl-4-oxo-1-pyridinyl)phenyl]acetic acid is Cc1cc(=O)cc(C)n1-c1ccc(CC(=O)O)cc1.
What is the InChIKey of 2-[4-(2,6-dimethyl-4-oxo-1-pyridinyl)phenyl]acetic acid?
The InChIKey is SCKCEWULMDHYCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3/c1-10-7-14(17)8-11(2)16(10)13-5-3-12(4-6-13)9-15(18)19/h3-8H,9H2,1-2H3,(H,18,19).
What are the key properties of 2-[4-(2,6-dimethyl-4-oxo-1-pyridinyl)phenyl]acetic acid?
2-[4-(2,6-dimethyl-4-oxo-1-pyridinyl)phenyl]acetic acid has a molecular weight of 257.29 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,6-dimethyl-4-oxo-1-pyridinyl)phenyl]acetic acid is sourced from PubChem (CID 79023796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).