6-(2,2-difluorocyclopropyl)imidazo[1,2-a]pyrimidine-2-carboxylic acid

C10H7F2N3O2 — CID 156503105

IUPAC6-(2,2-difluorocyclopropyl)imidazo[1,2-a]pyrimidine-2-carboxylic acid
SMILESO=C(O)c1cn2cc(C3CC3(F)F)cnc2n1
InChIInChI=1S/C10H7F2N3O2/c11-10(12)1-6(10)5-2-13-9-14-7(8(16)17)4-15(9)3-5/h2-4,6H,1H2,(H,16,17)
InChIKeyWCWPNLBPHTVWDJ-UHFFFAOYSA-N
MW239.18 g/mol
LogP1.55
Rot. Bonds2

About 6-(2,2-difluorocyclopropyl)imidazo[1,2-a]pyrimidine-2-carboxylic acid

6-(2,2-difluorocyclopropyl)imidazo[1,2-a]pyrimidine-2-carboxylic acid (PubChem CID 156503105) has the molecular formula C10H7F2N3O2 and a molecular weight of 239.18 g/mol. Its IUPAC name is 6-(2,2-difluorocyclopropyl)imidazo[1,2-a]pyrimidine-2-carboxylic acid.

Molecular Properties

Compound Name6-(2,2-difluorocyclopropyl)imidazo[1,2-a]pyrimidine-2-carboxylic acid
PubChem CID156503105
Molecular FormulaC10H7F2N3O2
Molecular Weight239.18 g/mol
Exact Mass239.05
IUPAC Name6-(2,2-difluorocyclopropyl)imidazo[1,2-a]pyrimidine-2-carboxylic acid
SMILESO=C(O)c1cn2cc(C3CC3(F)F)cnc2n1
InChIInChI=1S/C10H7F2N3O2/c11-10(12)1-6(10)5-2-13-9-14-7(8(16)17)4-15(9)3-5/h2-4,6H,1H2,(H,16,17)
InChIKeyWCWPNLBPHTVWDJ-UHFFFAOYSA-N
XLogP1.55
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.18
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(2,2-difluorocyclopropyl)imidazo[1,2-a]pyrimidine-2-carboxylic acid?
The IUPAC name of 6-(2,2-difluorocyclopropyl)imidazo[1,2-a]pyrimidine-2-carboxylic acid (CID 156503105) is 6-(2,2-difluorocyclopropyl)imidazo[1,2-a]pyrimidine-2-carboxylic acid.
What is the SMILES notation for 6-(2,2-difluorocyclopropyl)imidazo[1,2-a]pyrimidine-2-carboxylic acid?
The canonical SMILES for 6-(2,2-difluorocyclopropyl)imidazo[1,2-a]pyrimidine-2-carboxylic acid is O=C(O)c1cn2cc(C3CC3(F)F)cnc2n1.
What is the InChIKey of 6-(2,2-difluorocyclopropyl)imidazo[1,2-a]pyrimidine-2-carboxylic acid?
The InChIKey is WCWPNLBPHTVWDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F2N3O2/c11-10(12)1-6(10)5-2-13-9-14-7(8(16)17)4-15(9)3-5/h2-4,6H,1H2,(H,16,17).
What are the key properties of 6-(2,2-difluorocyclopropyl)imidazo[1,2-a]pyrimidine-2-carboxylic acid?
6-(2,2-difluorocyclopropyl)imidazo[1,2-a]pyrimidine-2-carboxylic acid has a molecular weight of 239.18 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,2-difluorocyclopropyl)imidazo[1,2-a]pyrimidine-2-carboxylic acid is sourced from PubChem (CID 156503105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).