2-(5-cyano-4-methyl-6-oxo-1H-pyridin-2-yl)acetic acid

C9H8N2O3 — CID 83877909

IUPAC2-(5-cyano-4-methyl-6-oxo-1H-pyridin-2-yl)acetic acid
SMILESCc1cc(CC(=O)O)[nH]c(=O)c1C#N
InChIInChI=1S/C9H8N2O3/c1-5-2-6(3-8(12)13)11-9(14)7(5)4-10/h2H,3H2,1H3,(H,11,14)(H,12,13)
InChIKeyXVGHMFYVNMBZEQ-UHFFFAOYSA-N
MW192.17 g/mol
LogP0.18
Rot. Bonds2

About 2-(5-cyano-4-methyl-6-oxo-1H-pyridin-2-yl)acetic acid

2-(5-cyano-4-methyl-6-oxo-1H-pyridin-2-yl)acetic acid (PubChem CID 83877909) has the molecular formula C9H8N2O3 and a molecular weight of 192.17 g/mol. Its IUPAC name is 2-(5-cyano-4-methyl-6-oxo-1H-pyridin-2-yl)acetic acid.

Molecular Properties

Compound Name2-(5-cyano-4-methyl-6-oxo-1H-pyridin-2-yl)acetic acid
PubChem CID83877909
Molecular FormulaC9H8N2O3
Molecular Weight192.17 g/mol
Exact Mass192.05
IUPAC Name2-(5-cyano-4-methyl-6-oxo-1H-pyridin-2-yl)acetic acid
SMILESCc1cc(CC(=O)O)[nH]c(=O)c1C#N
InChIInChI=1S/C9H8N2O3/c1-5-2-6(3-8(12)13)11-9(14)7(5)4-10/h2H,3H2,1H3,(H,11,14)(H,12,13)
InChIKeyXVGHMFYVNMBZEQ-UHFFFAOYSA-N
XLogP0.18
TPSA93.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.17
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-ethyl-4-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 10630830
2-(5-formyl-4-methyl-1H-pyrrol-2-yl)acetic acid
CID 143553249
2-[4-cyano-5-methyl-2-(trifluoromethyl)phenyl]acetic acid
CID 134628107
2-[4-(carboxymethyl)-2,5-dimethylphenyl]acetic acid
CID 658274
2-hydroxy-4-methyl-6-oxo-1H-pyridine-3-carbonitrile
CID 159463245
2-(5-cyano-2-iodo-4-methylphenyl)acetic acid
CID 130775404
2-(4-cyano-3,5-dimethylphenoxy)acetic acid
CID 141147610
2-(5-cyano-1H-indol-2-yl)acetic acid
CID 131305080
4-(4-hydroxy-3,5-dimethylphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168585362
3-(3-cyano-2-hydroxy-4-methyl-6-oxo-1-pyridinyl)propanoic acid
CID 21264851
2-(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)acetic acid
CID 82526321
ethyl 3-cyano-2-oxo-6-pentyl-1H-pyridine-4-carboxylate
CID 165460318

Frequently Asked Questions

What is the IUPAC name of 2-(5-cyano-4-methyl-6-oxo-1H-pyridin-2-yl)acetic acid?
The IUPAC name of 2-(5-cyano-4-methyl-6-oxo-1H-pyridin-2-yl)acetic acid (CID 83877909) is 2-(5-cyano-4-methyl-6-oxo-1H-pyridin-2-yl)acetic acid.
What is the SMILES notation for 2-(5-cyano-4-methyl-6-oxo-1H-pyridin-2-yl)acetic acid?
The canonical SMILES for 2-(5-cyano-4-methyl-6-oxo-1H-pyridin-2-yl)acetic acid is Cc1cc(CC(=O)O)[nH]c(=O)c1C#N.
What is the InChIKey of 2-(5-cyano-4-methyl-6-oxo-1H-pyridin-2-yl)acetic acid?
The InChIKey is XVGHMFYVNMBZEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O3/c1-5-2-6(3-8(12)13)11-9(14)7(5)4-10/h2H,3H2,1H3,(H,11,14)(H,12,13).
What are the key properties of 2-(5-cyano-4-methyl-6-oxo-1H-pyridin-2-yl)acetic acid?
2-(5-cyano-4-methyl-6-oxo-1H-pyridin-2-yl)acetic acid has a molecular weight of 192.17 g/mol, XLogP of 0.18, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-cyano-4-methyl-6-oxo-1H-pyridin-2-yl)acetic acid is sourced from PubChem (CID 83877909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).