2-(difluoromethyl)pyrimidine-5-carboxylic acid

C6H4F2N2O2 — CID 53417026

IUPAC2-(difluoromethyl)pyrimidine-5-carboxylic acid
SMILESO=C(O)c1cnc(C(F)F)nc1
InChIInChI=1S/C6H4F2N2O2/c7-4(8)5-9-1-3(2-10-5)6(11)12/h1-2,4H,(H,11,12)
InChIKeyZKUXPKXRJRMEJB-UHFFFAOYSA-N
MW174.11 g/mol
LogP1.11
Rot. Bonds2

About 2-(difluoromethyl)pyrimidine-5-carboxylic acid

2-(difluoromethyl)pyrimidine-5-carboxylic acid (PubChem CID 53417026) has the molecular formula C6H4F2N2O2 and a molecular weight of 174.11 g/mol. Its IUPAC name is 2-(difluoromethyl)pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-(difluoromethyl)pyrimidine-5-carboxylic acid
PubChem CID53417026
Molecular FormulaC6H4F2N2O2
Molecular Weight174.11 g/mol
Exact Mass174.02
IUPAC Name2-(difluoromethyl)pyrimidine-5-carboxylic acid
SMILESO=C(O)c1cnc(C(F)F)nc1
InChIInChI=1S/C6H4F2N2O2/c7-4(8)5-9-1-3(2-10-5)6(11)12/h1-2,4H,(H,11,12)
InChIKeyZKUXPKXRJRMEJB-UHFFFAOYSA-N
XLogP1.11
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.11
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)pyrimidine-5-carboxylic acid?
The IUPAC name of 2-(difluoromethyl)pyrimidine-5-carboxylic acid (CID 53417026) is 2-(difluoromethyl)pyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-(difluoromethyl)pyrimidine-5-carboxylic acid?
The canonical SMILES for 2-(difluoromethyl)pyrimidine-5-carboxylic acid is O=C(O)c1cnc(C(F)F)nc1.
What is the InChIKey of 2-(difluoromethyl)pyrimidine-5-carboxylic acid?
The InChIKey is ZKUXPKXRJRMEJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F2N2O2/c7-4(8)5-9-1-3(2-10-5)6(11)12/h1-2,4H,(H,11,12).
What are the key properties of 2-(difluoromethyl)pyrimidine-5-carboxylic acid?
2-(difluoromethyl)pyrimidine-5-carboxylic acid has a molecular weight of 174.11 g/mol, XLogP of 1.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)pyrimidine-5-carboxylic acid is sourced from PubChem (CID 53417026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).