6-cyano-2,4-dimethylpyridine-3-carboxylic acid

C9H8N2O2 — CID 57431550

IUPAC6-cyano-2,4-dimethylpyridine-3-carboxylic acid
SMILESCc1cc(C#N)nc(C)c1C(=O)O
InChIInChI=1S/C9H8N2O2/c1-5-3-7(4-10)11-6(2)8(5)9(12)13/h3H,1-2H3,(H,12,13)
InChIKeyMPUCMTUIGIMAEF-UHFFFAOYSA-N
MW176.17 g/mol
LogP1.27
Rot. Bonds1

About 6-cyano-2,4-dimethylpyridine-3-carboxylic acid

6-cyano-2,4-dimethylpyridine-3-carboxylic acid (PubChem CID 57431550) has the molecular formula C9H8N2O2 and a molecular weight of 176.17 g/mol. Its IUPAC name is 6-cyano-2,4-dimethylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-cyano-2,4-dimethylpyridine-3-carboxylic acid
PubChem CID57431550
Molecular FormulaC9H8N2O2
Molecular Weight176.17 g/mol
Exact Mass176.06
IUPAC Name6-cyano-2,4-dimethylpyridine-3-carboxylic acid
SMILESCc1cc(C#N)nc(C)c1C(=O)O
InChIInChI=1S/C9H8N2O2/c1-5-3-7(4-10)11-6(2)8(5)9(12)13/h3H,1-2H3,(H,12,13)
InChIKeyMPUCMTUIGIMAEF-UHFFFAOYSA-N
XLogP1.27
TPSA73.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.17
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-cyano-2,4-dimethylpyridine-3-carboxylic acid?
The IUPAC name of 6-cyano-2,4-dimethylpyridine-3-carboxylic acid (CID 57431550) is 6-cyano-2,4-dimethylpyridine-3-carboxylic acid.
What is the SMILES notation for 6-cyano-2,4-dimethylpyridine-3-carboxylic acid?
The canonical SMILES for 6-cyano-2,4-dimethylpyridine-3-carboxylic acid is Cc1cc(C#N)nc(C)c1C(=O)O.
What is the InChIKey of 6-cyano-2,4-dimethylpyridine-3-carboxylic acid?
The InChIKey is MPUCMTUIGIMAEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O2/c1-5-3-7(4-10)11-6(2)8(5)9(12)13/h3H,1-2H3,(H,12,13).
What are the key properties of 6-cyano-2,4-dimethylpyridine-3-carboxylic acid?
6-cyano-2,4-dimethylpyridine-3-carboxylic acid has a molecular weight of 176.17 g/mol, XLogP of 1.27, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyano-2,4-dimethylpyridine-3-carboxylic acid is sourced from PubChem (CID 57431550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).