2-chloro-6-pyrazol-1-ylpyrimidine-4-carboxylic acid

C8H5ClN4O2 — CID 130847763

IUPAC2-chloro-6-pyrazol-1-ylpyrimidine-4-carboxylic acid
SMILESO=C(O)c1cc(-n2cccn2)nc(Cl)n1
InChIInChI=1S/C8H5ClN4O2/c9-8-11-5(7(14)15)4-6(12-8)13-3-1-2-10-13/h1-4H,(H,14,15)
InChIKeyIYUUOELDHZBCKX-UHFFFAOYSA-N
MW224.61 g/mol
LogP1.01
Rot. Bonds2

About 2-chloro-6-pyrazol-1-ylpyrimidine-4-carboxylic acid

2-chloro-6-pyrazol-1-ylpyrimidine-4-carboxylic acid (PubChem CID 130847763) has the molecular formula C8H5ClN4O2 and a molecular weight of 224.61 g/mol. Its IUPAC name is 2-chloro-6-pyrazol-1-ylpyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name2-chloro-6-pyrazol-1-ylpyrimidine-4-carboxylic acid
PubChem CID130847763
Molecular FormulaC8H5ClN4O2
Molecular Weight224.61 g/mol
Exact Mass224.01
IUPAC Name2-chloro-6-pyrazol-1-ylpyrimidine-4-carboxylic acid
SMILESO=C(O)c1cc(-n2cccn2)nc(Cl)n1
InChIInChI=1S/C8H5ClN4O2/c9-8-11-5(7(14)15)4-6(12-8)13-3-1-2-10-13/h1-4H,(H,14,15)
InChIKeyIYUUOELDHZBCKX-UHFFFAOYSA-N
XLogP1.01
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.61
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-pyrazol-1-ylpyrimidine-4-carboxylic acid?
The IUPAC name of 2-chloro-6-pyrazol-1-ylpyrimidine-4-carboxylic acid (CID 130847763) is 2-chloro-6-pyrazol-1-ylpyrimidine-4-carboxylic acid.
What is the SMILES notation for 2-chloro-6-pyrazol-1-ylpyrimidine-4-carboxylic acid?
The canonical SMILES for 2-chloro-6-pyrazol-1-ylpyrimidine-4-carboxylic acid is O=C(O)c1cc(-n2cccn2)nc(Cl)n1.
What is the InChIKey of 2-chloro-6-pyrazol-1-ylpyrimidine-4-carboxylic acid?
The InChIKey is IYUUOELDHZBCKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClN4O2/c9-8-11-5(7(14)15)4-6(12-8)13-3-1-2-10-13/h1-4H,(H,14,15).
What are the key properties of 2-chloro-6-pyrazol-1-ylpyrimidine-4-carboxylic acid?
2-chloro-6-pyrazol-1-ylpyrimidine-4-carboxylic acid has a molecular weight of 224.61 g/mol, XLogP of 1.01, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-pyrazol-1-ylpyrimidine-4-carboxylic acid is sourced from PubChem (CID 130847763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).