6-methyl-3-(3-methyl-1,2-oxazol-5-yl)pyridine-2-carboxylic acid

C11H10N2O3 — CID 67426128

IUPAC6-methyl-3-(3-methyl-1,2-oxazol-5-yl)pyridine-2-carboxylic acid
SMILESCc1cc(-c2ccc(C)nc2C(=O)O)on1
InChIInChI=1S/C11H10N2O3/c1-6-3-4-8(10(12-6)11(14)15)9-5-7(2)13-16-9/h3-5H,1-2H3,(H,14,15)
InChIKeyAFNNWRHNGUOFNY-UHFFFAOYSA-N
MW218.21 g/mol
LogP2.05
Rot. Bonds2

About 6-methyl-3-(3-methyl-1,2-oxazol-5-yl)pyridine-2-carboxylic acid

6-methyl-3-(3-methyl-1,2-oxazol-5-yl)pyridine-2-carboxylic acid (PubChem CID 67426128) has the molecular formula C11H10N2O3 and a molecular weight of 218.21 g/mol. Its IUPAC name is 6-methyl-3-(3-methyl-1,2-oxazol-5-yl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-methyl-3-(3-methyl-1,2-oxazol-5-yl)pyridine-2-carboxylic acid
PubChem CID67426128
Molecular FormulaC11H10N2O3
Molecular Weight218.21 g/mol
Exact Mass218.07
IUPAC Name6-methyl-3-(3-methyl-1,2-oxazol-5-yl)pyridine-2-carboxylic acid
SMILESCc1cc(-c2ccc(C)nc2C(=O)O)on1
InChIInChI=1S/C11H10N2O3/c1-6-3-4-8(10(12-6)11(14)15)9-5-7(2)13-16-9/h3-5H,1-2H3,(H,14,15)
InChIKeyAFNNWRHNGUOFNY-UHFFFAOYSA-N
XLogP2.05
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-(3-methyl-1,2-oxazol-5-yl)pyridine-2-carboxylic acid?
The IUPAC name of 6-methyl-3-(3-methyl-1,2-oxazol-5-yl)pyridine-2-carboxylic acid (CID 67426128) is 6-methyl-3-(3-methyl-1,2-oxazol-5-yl)pyridine-2-carboxylic acid.
What is the SMILES notation for 6-methyl-3-(3-methyl-1,2-oxazol-5-yl)pyridine-2-carboxylic acid?
The canonical SMILES for 6-methyl-3-(3-methyl-1,2-oxazol-5-yl)pyridine-2-carboxylic acid is Cc1cc(-c2ccc(C)nc2C(=O)O)on1.
What is the InChIKey of 6-methyl-3-(3-methyl-1,2-oxazol-5-yl)pyridine-2-carboxylic acid?
The InChIKey is AFNNWRHNGUOFNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O3/c1-6-3-4-8(10(12-6)11(14)15)9-5-7(2)13-16-9/h3-5H,1-2H3,(H,14,15).
What are the key properties of 6-methyl-3-(3-methyl-1,2-oxazol-5-yl)pyridine-2-carboxylic acid?
6-methyl-3-(3-methyl-1,2-oxazol-5-yl)pyridine-2-carboxylic acid has a molecular weight of 218.21 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-(3-methyl-1,2-oxazol-5-yl)pyridine-2-carboxylic acid is sourced from PubChem (CID 67426128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).