2,2-difluoro-2-(2-methylpyrimidin-4-yl)acetic acid

C7H6F2N2O2 — CID 84661264

IUPAC2,2-difluoro-2-(2-methylpyrimidin-4-yl)acetic acid
SMILESCc1nccc(C(F)(F)C(=O)O)n1
InChIInChI=1S/C7H6F2N2O2/c1-4-10-3-2-5(11-4)7(8,9)6(12)13/h2-3H,1H3,(H,12,13)
InChIKeyOFUACWWPTYDEEK-UHFFFAOYSA-N
MW188.13 g/mol
LogP0.96
Rot. Bonds2

About 2,2-difluoro-2-(2-methylpyrimidin-4-yl)acetic acid

2,2-difluoro-2-(2-methylpyrimidin-4-yl)acetic acid (PubChem CID 84661264) has the molecular formula C7H6F2N2O2 and a molecular weight of 188.13 g/mol. Its IUPAC name is 2,2-difluoro-2-(2-methylpyrimidin-4-yl)acetic acid.

Molecular Properties

Compound Name2,2-difluoro-2-(2-methylpyrimidin-4-yl)acetic acid
PubChem CID84661264
Molecular FormulaC7H6F2N2O2
Molecular Weight188.13 g/mol
Exact Mass188.04
IUPAC Name2,2-difluoro-2-(2-methylpyrimidin-4-yl)acetic acid
SMILESCc1nccc(C(F)(F)C(=O)O)n1
InChIInChI=1S/C7H6F2N2O2/c1-4-10-3-2-5(11-4)7(8,9)6(12)13/h2-3H,1H3,(H,12,13)
InChIKeyOFUACWWPTYDEEK-UHFFFAOYSA-N
XLogP0.96
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.13
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Methyl 2-(2-chloropyrimidin-4-yl)acetate
CID 83814915
Sodium 2-methyl-2-(pyrimidin-4-yl)propanoate
CID 137704115
3-(2-Methylpyrimidin-4-yl)propanoic acid
CID 82597081
3,3-Dimethyl-2-(pyrimidin-4-yl)butanoic acid
CID 155822370
Lithium(1+) 2-(pyrimidin-4-yl)propanoate
CID 165941279
(Pyrimidin-4-yl)acetic acid
CID 21486925
(2R)-2-amino-2-(2-aminopyrimidin-4-yl)propanoic acid
CID 57010106
2-(Pyrimidin-4-yl)propanoic acid
CID 82417173
2-(2-Fluoropyrimidin-4-yl)-2-oxoacetic acid
CID 67258472
2-(5-Fluoropyrimidin-4-yl)propanoic acid
CID 67382628
2-Ethyl-2-(2-ethyl-5-fluoropyrimidin-4-yl)propanedioic acid
CID 67382767
Ethyl 2-(5-fluoropyrimidin-4-yl)acetate
CID 68235727

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-2-(2-methylpyrimidin-4-yl)acetic acid?
The IUPAC name of 2,2-difluoro-2-(2-methylpyrimidin-4-yl)acetic acid (CID 84661264) is 2,2-difluoro-2-(2-methylpyrimidin-4-yl)acetic acid.
What is the SMILES notation for 2,2-difluoro-2-(2-methylpyrimidin-4-yl)acetic acid?
The canonical SMILES for 2,2-difluoro-2-(2-methylpyrimidin-4-yl)acetic acid is Cc1nccc(C(F)(F)C(=O)O)n1.
What is the InChIKey of 2,2-difluoro-2-(2-methylpyrimidin-4-yl)acetic acid?
The InChIKey is OFUACWWPTYDEEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F2N2O2/c1-4-10-3-2-5(11-4)7(8,9)6(12)13/h2-3H,1H3,(H,12,13).
What are the key properties of 2,2-difluoro-2-(2-methylpyrimidin-4-yl)acetic acid?
2,2-difluoro-2-(2-methylpyrimidin-4-yl)acetic acid has a molecular weight of 188.13 g/mol, XLogP of 0.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-2-(2-methylpyrimidin-4-yl)acetic acid is sourced from PubChem (CID 84661264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).