6-methyl-3-pyrimidin-2-ylpyridine-2-carboxylic acid

C11H9N3O2 — CID 58477946

IUPAC6-methyl-3-pyrimidin-2-ylpyridine-2-carboxylic acid
SMILESCc1ccc(-c2ncccn2)c(C(=O)O)n1
InChIInChI=1S/C11H9N3O2/c1-7-3-4-8(9(14-7)11(15)16)10-12-5-2-6-13-10/h2-6H,1H3,(H,15,16)
InChIKeyYDJKIHIETNFDIH-UHFFFAOYSA-N
MW215.21 g/mol
LogP1.55
Rot. Bonds2

About 6-methyl-3-pyrimidin-2-ylpyridine-2-carboxylic acid

6-methyl-3-pyrimidin-2-ylpyridine-2-carboxylic acid (PubChem CID 58477946) has the molecular formula C11H9N3O2 and a molecular weight of 215.21 g/mol. Its IUPAC name is 6-methyl-3-pyrimidin-2-ylpyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-methyl-3-pyrimidin-2-ylpyridine-2-carboxylic acid
PubChem CID58477946
Molecular FormulaC11H9N3O2
Molecular Weight215.21 g/mol
Exact Mass215.07
IUPAC Name6-methyl-3-pyrimidin-2-ylpyridine-2-carboxylic acid
SMILESCc1ccc(-c2ncccn2)c(C(=O)O)n1
InChIInChI=1S/C11H9N3O2/c1-7-3-4-8(9(14-7)11(15)16)10-12-5-2-6-13-10/h2-6H,1H3,(H,15,16)
InChIKeyYDJKIHIETNFDIH-UHFFFAOYSA-N
XLogP1.55
TPSA75.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.21
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-pyrimidin-2-ylpyridine-2-carboxylic acid?
The IUPAC name of 6-methyl-3-pyrimidin-2-ylpyridine-2-carboxylic acid (CID 58477946) is 6-methyl-3-pyrimidin-2-ylpyridine-2-carboxylic acid.
What is the SMILES notation for 6-methyl-3-pyrimidin-2-ylpyridine-2-carboxylic acid?
The canonical SMILES for 6-methyl-3-pyrimidin-2-ylpyridine-2-carboxylic acid is Cc1ccc(-c2ncccn2)c(C(=O)O)n1.
What is the InChIKey of 6-methyl-3-pyrimidin-2-ylpyridine-2-carboxylic acid?
The InChIKey is YDJKIHIETNFDIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O2/c1-7-3-4-8(9(14-7)11(15)16)10-12-5-2-6-13-10/h2-6H,1H3,(H,15,16).
What are the key properties of 6-methyl-3-pyrimidin-2-ylpyridine-2-carboxylic acid?
6-methyl-3-pyrimidin-2-ylpyridine-2-carboxylic acid has a molecular weight of 215.21 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-pyrimidin-2-ylpyridine-2-carboxylic acid is sourced from PubChem (CID 58477946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).