2-[3-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)phenoxy]acetic acid

C15H12N2O4 — CID 168586784

IUPAC2-[3-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)phenoxy]acetic acid
SMILESCc1cc(-c2cccc(OCC(=O)O)c2)c(C#N)c(=O)[nH]1
InChIInChI=1S/C15H12N2O4/c1-9-5-12(13(7-16)15(20)17-9)10-3-2-4-11(6-10)21-8-14(18)19/h2-6H,8H2,1H3,(H,17,20)(H,18,19)
InChIKeyFOOMHEYQPCILEL-UHFFFAOYSA-N
MW284.27 g/mol
LogP1.69
Rot. Bonds4

About 2-[3-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)phenoxy]acetic acid

2-[3-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)phenoxy]acetic acid (PubChem CID 168586784) has the molecular formula C15H12N2O4 and a molecular weight of 284.27 g/mol. Its IUPAC name is 2-[3-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)phenoxy]acetic acid.

Molecular Properties

Compound Name2-[3-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)phenoxy]acetic acid
PubChem CID168586784
Molecular FormulaC15H12N2O4
Molecular Weight284.27 g/mol
Exact Mass284.08
IUPAC Name2-[3-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)phenoxy]acetic acid
SMILESCc1cc(-c2cccc(OCC(=O)O)c2)c(C#N)c(=O)[nH]1
InChIInChI=1S/C15H12N2O4/c1-9-5-12(13(7-16)15(20)17-9)10-3-2-4-11(6-10)21-8-14(18)19/h2-6H,8H2,1H3,(H,17,20)(H,18,19)
InChIKeyFOOMHEYQPCILEL-UHFFFAOYSA-N
XLogP1.69
TPSA103.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.27
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)phenoxy]acetamide
CID 168585220
2-[4-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)-2-methoxyphenoxy]acetic acid
CID 168587366
4-[3-[(2-fluorophenyl)methoxy]phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168586741
3-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)benzoic acid
CID 168585684
4-[3-(4-cyanophenoxy)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168585760
4-[2-(3-methoxyphenyl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168584675
4-(3-cyanophenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168584520
4-[3,5-bis(phenylmethoxy)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168586733
4-[3-(3-hydroxyphenyl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168584648
4-[3-[(5-bromo-2-pyridinyl)oxy]phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168585983
N-tert-butyl-2-[4-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)phenoxy]acetamide
CID 168586858
4-[3-(2-fluorophenyl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168584670

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)phenoxy]acetic acid?
The IUPAC name of 2-[3-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)phenoxy]acetic acid (CID 168586784) is 2-[3-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)phenoxy]acetic acid.
What is the SMILES notation for 2-[3-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)phenoxy]acetic acid?
The canonical SMILES for 2-[3-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)phenoxy]acetic acid is Cc1cc(-c2cccc(OCC(=O)O)c2)c(C#N)c(=O)[nH]1.
What is the InChIKey of 2-[3-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)phenoxy]acetic acid?
The InChIKey is FOOMHEYQPCILEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O4/c1-9-5-12(13(7-16)15(20)17-9)10-3-2-4-11(6-10)21-8-14(18)19/h2-6H,8H2,1H3,(H,17,20)(H,18,19).
What are the key properties of 2-[3-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)phenoxy]acetic acid?
2-[3-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)phenoxy]acetic acid has a molecular weight of 284.27 g/mol, XLogP of 1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)phenoxy]acetic acid is sourced from PubChem (CID 168586784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).