5-(difluoromethyl)pyrimidine-2-carboxylic acid

C6H4F2N2O2 — CID 131194647

IUPAC5-(difluoromethyl)pyrimidine-2-carboxylic acid
SMILESO=C(O)c1ncc(C(F)F)cn1
InChIInChI=1S/C6H4F2N2O2/c7-4(8)3-1-9-5(6(11)12)10-2-3/h1-2,4H,(H,11,12)
InChIKeyZXULACHWLSWYJA-UHFFFAOYSA-N
MW174.11 g/mol
LogP1.11
Rot. Bonds2

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

5-(difluoromethyl)pyrimidine-2-carboxylic acid (PubChem CID 131194647) has the molecular formula C6H4F2N2O2 and a molecular weight of 174.11 g/mol. Its IUPAC name is 5-(difluoromethyl)pyrimidine-2-carboxylic acid.

Molecular Properties

Compound Name5-(difluoromethyl)pyrimidine-2-carboxylic acid
PubChem CID131194647
Molecular FormulaC6H4F2N2O2
Molecular Weight174.11 g/mol
Exact Mass174.02
IUPAC Name5-(difluoromethyl)pyrimidine-2-carboxylic acid
SMILESO=C(O)c1ncc(C(F)F)cn1
InChIInChI=1S/C6H4F2N2O2/c7-4(8)3-1-9-5(6(11)12)10-2-3/h1-2,4H,(H,11,12)
InChIKeyZXULACHWLSWYJA-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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Related Compounds

3-(aminomethyl)-5-(difluoromethyl)pyridine-2-carboxylic acid
CID 130098067
5-(2-methylpropyl)pyrimidine-2-carboxylic acid
CID 84732267
5-(aminomethyl)pyrimidine-2-carboxylic acid
CID 45082082
3-[5-(difluoromethyl)-2-pyridinyl]propanoic acid
CID 162738245
4-(difluoromethyl)-6-methylpyridine-2-carboxylic acid
CID 118846293
5-(difluoromethyl)-2-fluoropyridine-3-carbonyl chloride
CID 130096549
(2R,6S)-4-[5-(difluoromethyl)pyrimidin-2-yl]-2,6-dimethylpiperazine-1-carboxylic acid
CID 170154808
2-bromo-5-(difluoromethyl)pyridine-3-carbonyl chloride
CID 130095281
6-(difluoromethyl)imidazo[1,2-a]pyridine-3-carboxylic acid
CID 170957612
5-(difluoromethyl)-3,4-difluoropyridine-2-carboxylic acid
CID 130099870
2-[5-(difluoromethyl)-3-(trifluoromethyl)-2-pyridinyl]acetic acid
CID 134683635
1-(5-propan-2-ylpyrimidin-2-yl)ethanone
CID 83914336

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)pyrimidine-2-carboxylic acid?
The IUPAC name of 5-(difluoromethyl)pyrimidine-2-carboxylic acid (CID 131194647) is 5-(difluoromethyl)pyrimidine-2-carboxylic acid.
What is the SMILES notation for 5-(difluoromethyl)pyrimidine-2-carboxylic acid?
The canonical SMILES for 5-(difluoromethyl)pyrimidine-2-carboxylic acid is O=C(O)c1ncc(C(F)F)cn1.
What is the InChIKey of 5-(difluoromethyl)pyrimidine-2-carboxylic acid?
The InChIKey is ZXULACHWLSWYJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F2N2O2/c7-4(8)3-1-9-5(6(11)12)10-2-3/h1-2,4H,(H,11,12).
What are the key properties of 5-(difluoromethyl)pyrimidine-2-carboxylic acid?
5-(difluoromethyl)pyrimidine-2-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 5-(difluoromethyl)pyrimidine-2-carboxylic acid is sourced from PubChem (CID 131194647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).