2,4,6-trichloropyrimidine-5-carboxylic acid;hydrochloride

C5H2Cl4N2O2 — CID 88632817

IUPAC2,4,6-trichloropyrimidine-5-carboxylic acid;hydrochloride
SMILESCl.O=C(O)c1c(Cl)nc(Cl)nc1Cl
InChIInChI=1S/C5HCl3N2O2.ClH/c6-2-1(4(11)12)3(7)10-5(8)9-2;/h(H,11,12);1H
InChIKeyACVBUTJLQZWMLX-UHFFFAOYSA-N
MW263.90 g/mol
LogP2.56
Rot. Bonds1

About 2,4,6-trichloropyrimidine-5-carboxylic acid;hydrochloride

2,4,6-trichloropyrimidine-5-carboxylic acid;hydrochloride (PubChem CID 88632817) has the molecular formula C5H2Cl4N2O2 and a molecular weight of 263.90 g/mol. Its IUPAC name is 2,4,6-trichloropyrimidine-5-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name2,4,6-trichloropyrimidine-5-carboxylic acid;hydrochloride
PubChem CID88632817
Molecular FormulaC5H2Cl4N2O2
Molecular Weight263.90 g/mol
Exact Mass261.89
IUPAC Name2,4,6-trichloropyrimidine-5-carboxylic acid;hydrochloride
SMILESCl.O=C(O)c1c(Cl)nc(Cl)nc1Cl
InChIInChI=1S/C5HCl3N2O2.ClH/c6-2-1(4(11)12)3(7)10-5(8)9-2;/h(H,11,12);1H
InChIKeyACVBUTJLQZWMLX-UHFFFAOYSA-N
XLogP2.56
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.90
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4,6-trichloropyrimidine-5-carboxylic acid;hydrochloride?
The IUPAC name of 2,4,6-trichloropyrimidine-5-carboxylic acid;hydrochloride (CID 88632817) is 2,4,6-trichloropyrimidine-5-carboxylic acid;hydrochloride.
What is the SMILES notation for 2,4,6-trichloropyrimidine-5-carboxylic acid;hydrochloride?
The canonical SMILES for 2,4,6-trichloropyrimidine-5-carboxylic acid;hydrochloride is Cl.O=C(O)c1c(Cl)nc(Cl)nc1Cl.
What is the InChIKey of 2,4,6-trichloropyrimidine-5-carboxylic acid;hydrochloride?
The InChIKey is ACVBUTJLQZWMLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5HCl3N2O2.ClH/c6-2-1(4(11)12)3(7)10-5(8)9-2;/h(H,11,12);1H.
What are the key properties of 2,4,6-trichloropyrimidine-5-carboxylic acid;hydrochloride?
2,4,6-trichloropyrimidine-5-carboxylic acid;hydrochloride has a molecular weight of 263.90 g/mol, XLogP of 2.56, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trichloropyrimidine-5-carboxylic acid;hydrochloride is sourced from PubChem (CID 88632817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).