4,5-dichloropyrimidine-2-carboxylic acid

C5H2Cl2N2O2 — CID 87391022

IUPAC4,5-dichloropyrimidine-2-carboxylic acid
SMILESO=C(O)c1ncc(Cl)c(Cl)n1
InChIInChI=1S/C5H2Cl2N2O2/c6-2-1-8-4(5(10)11)9-3(2)7/h1H,(H,10,11)
InChIKeyPQJLAMDMXDFOFD-UHFFFAOYSA-N
MW192.99 g/mol
LogP1.48
Rot. Bonds1

About 4,5-dichloropyrimidine-2-carboxylic acid

4,5-dichloropyrimidine-2-carboxylic acid (PubChem CID 87391022) has the molecular formula C5H2Cl2N2O2 and a molecular weight of 192.99 g/mol. Its IUPAC name is 4,5-dichloropyrimidine-2-carboxylic acid.

Molecular Properties

Compound Name4,5-dichloropyrimidine-2-carboxylic acid
PubChem CID87391022
Molecular FormulaC5H2Cl2N2O2
Molecular Weight192.99 g/mol
Exact Mass191.95
IUPAC Name4,5-dichloropyrimidine-2-carboxylic acid
SMILESO=C(O)c1ncc(Cl)c(Cl)n1
InChIInChI=1S/C5H2Cl2N2O2/c6-2-1-8-4(5(10)11)9-3(2)7/h1H,(H,10,11)
InChIKeyPQJLAMDMXDFOFD-UHFFFAOYSA-N
XLogP1.48
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.99
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,5-dichloropyrimidine-2-carboxylic acid?
The IUPAC name of 4,5-dichloropyrimidine-2-carboxylic acid (CID 87391022) is 4,5-dichloropyrimidine-2-carboxylic acid.
What is the SMILES notation for 4,5-dichloropyrimidine-2-carboxylic acid?
The canonical SMILES for 4,5-dichloropyrimidine-2-carboxylic acid is O=C(O)c1ncc(Cl)c(Cl)n1.
What is the InChIKey of 4,5-dichloropyrimidine-2-carboxylic acid?
The InChIKey is PQJLAMDMXDFOFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2Cl2N2O2/c6-2-1-8-4(5(10)11)9-3(2)7/h1H,(H,10,11).
What are the key properties of 4,5-dichloropyrimidine-2-carboxylic acid?
4,5-dichloropyrimidine-2-carboxylic acid has a molecular weight of 192.99 g/mol, XLogP of 1.48, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloropyrimidine-2-carboxylic acid is sourced from PubChem (CID 87391022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).