4,6-dichloro-5-fluoropyrimidine-2-carboxylic acid

C5HCl2FN2O2 — CID 131219227

IUPAC4,6-dichloro-5-fluoropyrimidine-2-carboxylic acid
SMILESO=C(O)c1nc(Cl)c(F)c(Cl)n1
InChIInChI=1S/C5HCl2FN2O2/c6-2-1(8)3(7)10-4(9-2)5(11)12/h(H,11,12)
InChIKeyMXRMSVNCCPOHHZ-UHFFFAOYSA-N
MW210.98 g/mol
LogP1.62
Rot. Bonds1

About 4,6-dichloro-5-fluoropyrimidine-2-carboxylic acid

4,6-dichloro-5-fluoropyrimidine-2-carboxylic acid (PubChem CID 131219227) has the molecular formula C5HCl2FN2O2 and a molecular weight of 210.98 g/mol. Its IUPAC name is 4,6-dichloro-5-fluoropyrimidine-2-carboxylic acid.

Molecular Properties

Compound Name4,6-dichloro-5-fluoropyrimidine-2-carboxylic acid
PubChem CID131219227
Molecular FormulaC5HCl2FN2O2
Molecular Weight210.98 g/mol
Exact Mass209.94
IUPAC Name4,6-dichloro-5-fluoropyrimidine-2-carboxylic acid
SMILESO=C(O)c1nc(Cl)c(F)c(Cl)n1
InChIInChI=1S/C5HCl2FN2O2/c6-2-1(8)3(7)10-4(9-2)5(11)12/h(H,11,12)
InChIKeyMXRMSVNCCPOHHZ-UHFFFAOYSA-N
XLogP1.62
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.98
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4,6-dichloro-5-fluoropyrimidine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-5-fluoropyrimidine-2-carboxylic acid?
The IUPAC name of 4,6-dichloro-5-fluoropyrimidine-2-carboxylic acid (CID 131219227) is 4,6-dichloro-5-fluoropyrimidine-2-carboxylic acid.
What is the SMILES notation for 4,6-dichloro-5-fluoropyrimidine-2-carboxylic acid?
The canonical SMILES for 4,6-dichloro-5-fluoropyrimidine-2-carboxylic acid is O=C(O)c1nc(Cl)c(F)c(Cl)n1.
What is the InChIKey of 4,6-dichloro-5-fluoropyrimidine-2-carboxylic acid?
The InChIKey is MXRMSVNCCPOHHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5HCl2FN2O2/c6-2-1(8)3(7)10-4(9-2)5(11)12/h(H,11,12).
What are the key properties of 4,6-dichloro-5-fluoropyrimidine-2-carboxylic acid?
4,6-dichloro-5-fluoropyrimidine-2-carboxylic acid has a molecular weight of 210.98 g/mol, XLogP of 1.62, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-5-fluoropyrimidine-2-carboxylic acid is sourced from PubChem (CID 131219227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).