4-cyano-5-methylpyridine-2-carboxylic acid

C8H6N2O2 — CID 118799800

IUPAC4-cyano-5-methylpyridine-2-carboxylic acid
SMILESCc1cnc(C(=O)O)cc1C#N
InChIInChI=1S/C8H6N2O2/c1-5-4-10-7(8(11)12)2-6(5)3-9/h2,4H,1H3,(H,11,12)
InChIKeyRZBRPIXQVWJYKI-UHFFFAOYSA-N
MW162.15 g/mol
LogP0.96
Rot. Bonds1

About 4-cyano-5-methylpyridine-2-carboxylic acid

4-cyano-5-methylpyridine-2-carboxylic acid (PubChem CID 118799800) has the molecular formula C8H6N2O2 and a molecular weight of 162.15 g/mol. Its IUPAC name is 4-cyano-5-methylpyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-cyano-5-methylpyridine-2-carboxylic acid
PubChem CID118799800
Molecular FormulaC8H6N2O2
Molecular Weight162.15 g/mol
Exact Mass162.04
IUPAC Name4-cyano-5-methylpyridine-2-carboxylic acid
SMILESCc1cnc(C(=O)O)cc1C#N
InChIInChI=1S/C8H6N2O2/c1-5-4-10-7(8(11)12)2-6(5)3-9/h2,4H,1H3,(H,11,12)
InChIKeyRZBRPIXQVWJYKI-UHFFFAOYSA-N
XLogP0.96
TPSA73.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.15
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-cyano-5-methylpyridine-2-carboxylic acid?
The IUPAC name of 4-cyano-5-methylpyridine-2-carboxylic acid (CID 118799800) is 4-cyano-5-methylpyridine-2-carboxylic acid.
What is the SMILES notation for 4-cyano-5-methylpyridine-2-carboxylic acid?
The canonical SMILES for 4-cyano-5-methylpyridine-2-carboxylic acid is Cc1cnc(C(=O)O)cc1C#N.
What is the InChIKey of 4-cyano-5-methylpyridine-2-carboxylic acid?
The InChIKey is RZBRPIXQVWJYKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O2/c1-5-4-10-7(8(11)12)2-6(5)3-9/h2,4H,1H3,(H,11,12).
What are the key properties of 4-cyano-5-methylpyridine-2-carboxylic acid?
4-cyano-5-methylpyridine-2-carboxylic acid has a molecular weight of 162.15 g/mol, XLogP of 0.96, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-5-methylpyridine-2-carboxylic acid is sourced from PubChem (CID 118799800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).