2-pyridin-2-ylpyrimidine-4-carboxylic acid

C10H7N3O2 — CID 62749366

IUPAC2-pyridin-2-ylpyrimidine-4-carboxylic acid
SMILESO=C(O)c1ccnc(-c2ccccn2)n1
InChIInChI=1S/C10H7N3O2/c14-10(15)8-4-6-12-9(13-8)7-3-1-2-5-11-7/h1-6H,(H,14,15)
InChIKeyVZBROCOXUAOFMU-UHFFFAOYSA-N
MW201.19 g/mol
LogP1.24
Rot. Bonds2

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

2-pyridin-2-ylpyrimidine-4-carboxylic acid (PubChem CID 62749366) has the molecular formula C10H7N3O2 and a molecular weight of 201.19 g/mol. Its IUPAC name is 2-pyridin-2-ylpyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name2-pyridin-2-ylpyrimidine-4-carboxylic acid
PubChem CID62749366
Molecular FormulaC10H7N3O2
Molecular Weight201.19 g/mol
Exact Mass201.05
IUPAC Name2-pyridin-2-ylpyrimidine-4-carboxylic acid
SMILESO=C(O)c1ccnc(-c2ccccn2)n1
InChIInChI=1S/C10H7N3O2/c14-10(15)8-4-6-12-9(13-8)7-3-1-2-5-11-7/h1-6H,(H,14,15)
InChIKeyVZBROCOXUAOFMU-UHFFFAOYSA-N
XLogP1.24
TPSA75.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.19
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-pyridin-2-ylpyrimidine-4-carboxylic acid?
The IUPAC name of 2-pyridin-2-ylpyrimidine-4-carboxylic acid (CID 62749366) is 2-pyridin-2-ylpyrimidine-4-carboxylic acid.
What is the SMILES notation for 2-pyridin-2-ylpyrimidine-4-carboxylic acid?
The canonical SMILES for 2-pyridin-2-ylpyrimidine-4-carboxylic acid is O=C(O)c1ccnc(-c2ccccn2)n1.
What is the InChIKey of 2-pyridin-2-ylpyrimidine-4-carboxylic acid?
The InChIKey is VZBROCOXUAOFMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N3O2/c14-10(15)8-4-6-12-9(13-8)7-3-1-2-5-11-7/h1-6H,(H,14,15).
What are the key properties of 2-pyridin-2-ylpyrimidine-4-carboxylic acid?
2-pyridin-2-ylpyrimidine-4-carboxylic acid has a molecular weight of 201.19 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-2-ylpyrimidine-4-carboxylic acid is sourced from PubChem (CID 62749366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).