2,6-difluoropyrimidine-4-carboxylic acid;hydrochloride

C5H3ClF2N2O2 — CID 70594117

IUPAC2,6-difluoropyrimidine-4-carboxylic acid;hydrochloride
SMILESCl.O=C(O)c1cc(F)nc(F)n1
InChIInChI=1S/C5H2F2N2O2.ClH/c6-3-1-2(4(10)11)8-5(7)9-3;/h1H,(H,10,11);1H
InChIKeyPIEFVDSXBZTWKD-UHFFFAOYSA-N
MW196.54 g/mol
LogP0.87
Rot. Bonds1

About 2,6-difluoropyrimidine-4-carboxylic acid;hydrochloride

2,6-difluoropyrimidine-4-carboxylic acid;hydrochloride (PubChem CID 70594117) has the molecular formula C5H3ClF2N2O2 and a molecular weight of 196.54 g/mol. Its IUPAC name is 2,6-difluoropyrimidine-4-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name2,6-difluoropyrimidine-4-carboxylic acid;hydrochloride
PubChem CID70594117
Molecular FormulaC5H3ClF2N2O2
Molecular Weight196.54 g/mol
Exact Mass195.99
IUPAC Name2,6-difluoropyrimidine-4-carboxylic acid;hydrochloride
SMILESCl.O=C(O)c1cc(F)nc(F)n1
InChIInChI=1S/C5H2F2N2O2.ClH/c6-3-1-2(4(10)11)8-5(7)9-3;/h1H,(H,10,11);1H
InChIKeyPIEFVDSXBZTWKD-UHFFFAOYSA-N
XLogP0.87
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.54
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,6-difluoropyrimidine-4-carboxylic acid;hydrochloride?
The IUPAC name of 2,6-difluoropyrimidine-4-carboxylic acid;hydrochloride (CID 70594117) is 2,6-difluoropyrimidine-4-carboxylic acid;hydrochloride.
What is the SMILES notation for 2,6-difluoropyrimidine-4-carboxylic acid;hydrochloride?
The canonical SMILES for 2,6-difluoropyrimidine-4-carboxylic acid;hydrochloride is Cl.O=C(O)c1cc(F)nc(F)n1.
What is the InChIKey of 2,6-difluoropyrimidine-4-carboxylic acid;hydrochloride?
The InChIKey is PIEFVDSXBZTWKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2F2N2O2.ClH/c6-3-1-2(4(10)11)8-5(7)9-3;/h1H,(H,10,11);1H.
What are the key properties of 2,6-difluoropyrimidine-4-carboxylic acid;hydrochloride?
2,6-difluoropyrimidine-4-carboxylic acid;hydrochloride has a molecular weight of 196.54 g/mol, XLogP of 0.87, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoropyrimidine-4-carboxylic acid;hydrochloride is sourced from PubChem (CID 70594117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).