2-methyl-4-pyridin-4-ylpyrimidine-5-carboxylic acid

C11H9N3O2 — CID 1486526

IUPAC2-methyl-4-pyridin-4-ylpyrimidine-5-carboxylic acid
SMILESCc1ncc(C(=O)O)c(-c2ccncc2)n1
InChIInChI=1S/C11H9N3O2/c1-7-13-6-9(11(15)16)10(14-7)8-2-4-12-5-3-8/h2-6H,1H3,(H,15,16)
InChIKeyYSCWZINYRXSUSN-UHFFFAOYSA-N
MW215.21 g/mol
LogP1.55
Rot. Bonds2

About 2-methyl-4-pyridin-4-ylpyrimidine-5-carboxylic acid

2-methyl-4-pyridin-4-ylpyrimidine-5-carboxylic acid (PubChem CID 1486526) has the molecular formula C11H9N3O2 and a molecular weight of 215.21 g/mol. Its IUPAC name is 2-methyl-4-pyridin-4-ylpyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-methyl-4-pyridin-4-ylpyrimidine-5-carboxylic acid
PubChem CID1486526
Molecular FormulaC11H9N3O2
Molecular Weight215.21 g/mol
Exact Mass215.07
IUPAC Name2-methyl-4-pyridin-4-ylpyrimidine-5-carboxylic acid
SMILESCc1ncc(C(=O)O)c(-c2ccncc2)n1
InChIInChI=1S/C11H9N3O2/c1-7-13-6-9(11(15)16)10(14-7)8-2-4-12-5-3-8/h2-6H,1H3,(H,15,16)
InChIKeyYSCWZINYRXSUSN-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 2-methyl-4-pyridin-4-ylpyrimidine-5-carboxylic acid?
The IUPAC name of 2-methyl-4-pyridin-4-ylpyrimidine-5-carboxylic acid (CID 1486526) is 2-methyl-4-pyridin-4-ylpyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-methyl-4-pyridin-4-ylpyrimidine-5-carboxylic acid?
The canonical SMILES for 2-methyl-4-pyridin-4-ylpyrimidine-5-carboxylic acid is Cc1ncc(C(=O)O)c(-c2ccncc2)n1.
What is the InChIKey of 2-methyl-4-pyridin-4-ylpyrimidine-5-carboxylic acid?
The InChIKey is YSCWZINYRXSUSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O2/c1-7-13-6-9(11(15)16)10(14-7)8-2-4-12-5-3-8/h2-6H,1H3,(H,15,16).
What are the key properties of 2-methyl-4-pyridin-4-ylpyrimidine-5-carboxylic acid?
2-methyl-4-pyridin-4-ylpyrimidine-5-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 2-methyl-4-pyridin-4-ylpyrimidine-5-carboxylic acid is sourced from PubChem (CID 1486526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).