2-[(4-cyano-6-methyl-2-pyridinyl)oxy]acetic acid

C9H8N2O3 — CID 114770401

IUPAC2-[(4-cyano-6-methyl-2-pyridinyl)oxy]acetic acid
SMILESCc1cc(C#N)cc(OCC(=O)O)n1
InChIInChI=1S/C9H8N2O3/c1-6-2-7(4-10)3-8(11-6)14-5-9(12)13/h2-3H,5H2,1H3,(H,12,13)
InChIKeyADDNSTAWRCADEZ-UHFFFAOYSA-N
MW192.17 g/mol
LogP0.73
Rot. Bonds3

About 2-[(4-cyano-6-methyl-2-pyridinyl)oxy]acetic acid

2-[(4-cyano-6-methyl-2-pyridinyl)oxy]acetic acid (PubChem CID 114770401) has the molecular formula C9H8N2O3 and a molecular weight of 192.17 g/mol. Its IUPAC name is 2-[(4-cyano-6-methyl-2-pyridinyl)oxy]acetic acid.

Molecular Properties

Compound Name2-[(4-cyano-6-methyl-2-pyridinyl)oxy]acetic acid
PubChem CID114770401
Molecular FormulaC9H8N2O3
Molecular Weight192.17 g/mol
Exact Mass192.05
IUPAC Name2-[(4-cyano-6-methyl-2-pyridinyl)oxy]acetic acid
SMILESCc1cc(C#N)cc(OCC(=O)O)n1
InChIInChI=1S/C9H8N2O3/c1-6-2-7(4-10)3-8(11-6)14-5-9(12)13/h2-3H,5H2,1H3,(H,12,13)
InChIKeyADDNSTAWRCADEZ-UHFFFAOYSA-N
XLogP0.73
TPSA83.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.17
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(2-methoxyethoxy)ethoxy]-6-methylpyridine-4-carbonitrile
CID 114766986
2-(4-cyano-2,6-dimethylphenoxy)acetic acid
CID 65455986
2-(2,2-difluoroethoxy)-6-methylpyridine-4-carbonitrile
CID 114766974
2-methyl-6-(3-methylbut-3-enoxy)pyridine-4-carbonitrile
CID 114766998
2-methyl-6-[2-(methylamino)ethoxy]pyridine-4-carbonitrile
CID 114770421
2-[1-(4-cyano-6-methyl-2-pyridinyl)piperidin-4-yl]oxyacetic acid
CID 114765410
2-methyl-6-pent-4-enoxypyridine-4-carbonitrile
CID 114766957
2-[carboxymethyl-(4-cyano-6-methyl-2-pyridinyl)amino]acetic acid
CID 114765403
3-[(4-cyano-6-methyl-2-pyridinyl)oxy]benzoic acid
CID 114770378
2-(6-methylpyrazin-2-yl)oxyacetic acid
CID 146908338
2-methyl-6-(piperidin-4-ylmethoxy)pyridine-4-carbonitrile;hydrochloride
CID 158177882
2-(2,6-dibromo-4-cyanophenoxy)acetic acid
CID 18317846

Frequently Asked Questions

What is the IUPAC name of 2-[(4-cyano-6-methyl-2-pyridinyl)oxy]acetic acid?
The IUPAC name of 2-[(4-cyano-6-methyl-2-pyridinyl)oxy]acetic acid (CID 114770401) is 2-[(4-cyano-6-methyl-2-pyridinyl)oxy]acetic acid.
What is the SMILES notation for 2-[(4-cyano-6-methyl-2-pyridinyl)oxy]acetic acid?
The canonical SMILES for 2-[(4-cyano-6-methyl-2-pyridinyl)oxy]acetic acid is Cc1cc(C#N)cc(OCC(=O)O)n1.
What is the InChIKey of 2-[(4-cyano-6-methyl-2-pyridinyl)oxy]acetic acid?
The InChIKey is ADDNSTAWRCADEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O3/c1-6-2-7(4-10)3-8(11-6)14-5-9(12)13/h2-3H,5H2,1H3,(H,12,13).
What are the key properties of 2-[(4-cyano-6-methyl-2-pyridinyl)oxy]acetic acid?
2-[(4-cyano-6-methyl-2-pyridinyl)oxy]acetic acid has a molecular weight of 192.17 g/mol, XLogP of 0.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-cyano-6-methyl-2-pyridinyl)oxy]acetic acid is sourced from PubChem (CID 114770401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).