2-(2,6-difluorophenyl)pyrimidine-4-carboxylic acid

C11H6F2N2O2 — CID 66652899

IUPAC2-(2,6-difluorophenyl)pyrimidine-4-carboxylic acid
SMILESO=C(O)c1ccnc(-c2c(F)cccc2F)n1
InChIInChI=1S/C11H6F2N2O2/c12-6-2-1-3-7(13)9(6)10-14-5-4-8(15-10)11(16)17/h1-5H,(H,16,17)
InChIKeyLWUSXGZBCUHTQC-UHFFFAOYSA-N
MW236.18 g/mol
LogP2.12
Rot. Bonds2

About 2-(2,6-difluorophenyl)pyrimidine-4-carboxylic acid

2-(2,6-difluorophenyl)pyrimidine-4-carboxylic acid (PubChem CID 66652899) has the molecular formula C11H6F2N2O2 and a molecular weight of 236.18 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)pyrimidine-4-carboxylic acid
PubChem CID66652899
Molecular FormulaC11H6F2N2O2
Molecular Weight236.18 g/mol
Exact Mass236.04
IUPAC Name2-(2,6-difluorophenyl)pyrimidine-4-carboxylic acid
SMILESO=C(O)c1ccnc(-c2c(F)cccc2F)n1
InChIInChI=1S/C11H6F2N2O2/c12-6-2-1-3-7(13)9(6)10-14-5-4-8(15-10)11(16)17/h1-5H,(H,16,17)
InChIKeyLWUSXGZBCUHTQC-UHFFFAOYSA-N
XLogP2.12
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.18
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)pyrimidine-4-carboxylic acid?
The IUPAC name of 2-(2,6-difluorophenyl)pyrimidine-4-carboxylic acid (CID 66652899) is 2-(2,6-difluorophenyl)pyrimidine-4-carboxylic acid.
What is the SMILES notation for 2-(2,6-difluorophenyl)pyrimidine-4-carboxylic acid?
The canonical SMILES for 2-(2,6-difluorophenyl)pyrimidine-4-carboxylic acid is O=C(O)c1ccnc(-c2c(F)cccc2F)n1.
What is the InChIKey of 2-(2,6-difluorophenyl)pyrimidine-4-carboxylic acid?
The InChIKey is LWUSXGZBCUHTQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6F2N2O2/c12-6-2-1-3-7(13)9(6)10-14-5-4-8(15-10)11(16)17/h1-5H,(H,16,17).
What are the key properties of 2-(2,6-difluorophenyl)pyrimidine-4-carboxylic acid?
2-(2,6-difluorophenyl)pyrimidine-4-carboxylic acid has a molecular weight of 236.18 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluorophenyl)pyrimidine-4-carboxylic acid is sourced from PubChem (CID 66652899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).