2-(5-methyl-3-pyridinyl)pyrimidine-5-carboxylic acid

C11H9N3O2 — CID 177164317

IUPAC2-(5-methyl-3-pyridinyl)pyrimidine-5-carboxylic acid
SMILESCc1cncc(-c2ncc(C(=O)O)cn2)c1
InChIInChI=1S/C11H9N3O2/c1-7-2-8(4-12-3-7)10-13-5-9(6-14-10)11(15)16/h2-6H,1H3,(H,15,16)
InChIKeyYEBJXCJBBIQMFM-UHFFFAOYSA-N
MW215.21 g/mol
LogP1.55
Rot. Bonds2

About 2-(5-methyl-3-pyridinyl)pyrimidine-5-carboxylic acid

2-(5-methyl-3-pyridinyl)pyrimidine-5-carboxylic acid (PubChem CID 177164317) has the molecular formula C11H9N3O2 and a molecular weight of 215.21 g/mol. Its IUPAC name is 2-(5-methyl-3-pyridinyl)pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-(5-methyl-3-pyridinyl)pyrimidine-5-carboxylic acid
PubChem CID177164317
Molecular FormulaC11H9N3O2
Molecular Weight215.21 g/mol
Exact Mass215.07
IUPAC Name2-(5-methyl-3-pyridinyl)pyrimidine-5-carboxylic acid
SMILESCc1cncc(-c2ncc(C(=O)O)cn2)c1
InChIInChI=1S/C11H9N3O2/c1-7-2-8(4-12-3-7)10-13-5-9(6-14-10)11(15)16/h2-6H,1H3,(H,15,16)
InChIKeyYEBJXCJBBIQMFM-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-(5-methyl-3-pyridinyl)pyrimidine-5-carboxylic acid?
The IUPAC name of 2-(5-methyl-3-pyridinyl)pyrimidine-5-carboxylic acid (CID 177164317) is 2-(5-methyl-3-pyridinyl)pyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-(5-methyl-3-pyridinyl)pyrimidine-5-carboxylic acid?
The canonical SMILES for 2-(5-methyl-3-pyridinyl)pyrimidine-5-carboxylic acid is Cc1cncc(-c2ncc(C(=O)O)cn2)c1.
What is the InChIKey of 2-(5-methyl-3-pyridinyl)pyrimidine-5-carboxylic acid?
The InChIKey is YEBJXCJBBIQMFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O2/c1-7-2-8(4-12-3-7)10-13-5-9(6-14-10)11(15)16/h2-6H,1H3,(H,15,16).
What are the key properties of 2-(5-methyl-3-pyridinyl)pyrimidine-5-carboxylic acid?
2-(5-methyl-3-pyridinyl)pyrimidine-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-(5-methyl-3-pyridinyl)pyrimidine-5-carboxylic acid is sourced from PubChem (CID 177164317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).