2-(2-fluoropropan-2-yl)pyrimidine-4-carboxylic acid

C8H9FN2O2 — CID 130114946

IUPAC2-(2-fluoropropan-2-yl)pyrimidine-4-carboxylic acid
SMILESCC(C)(F)c1nccc(C(=O)O)n1
InChIInChI=1S/C8H9FN2O2/c1-8(2,9)7-10-4-3-5(11-7)6(12)13/h3-4H,1-2H3,(H,12,13)
InChIKeyBOUDTKLVVLJPKH-UHFFFAOYSA-N
MW184.17 g/mol
LogP1.38
Rot. Bonds2

About 2-(2-fluoropropan-2-yl)pyrimidine-4-carboxylic acid

2-(2-fluoropropan-2-yl)pyrimidine-4-carboxylic acid (PubChem CID 130114946) has the molecular formula C8H9FN2O2 and a molecular weight of 184.17 g/mol. Its IUPAC name is 2-(2-fluoropropan-2-yl)pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name2-(2-fluoropropan-2-yl)pyrimidine-4-carboxylic acid
PubChem CID130114946
Molecular FormulaC8H9FN2O2
Molecular Weight184.17 g/mol
Exact Mass184.06
IUPAC Name2-(2-fluoropropan-2-yl)pyrimidine-4-carboxylic acid
SMILESCC(C)(F)c1nccc(C(=O)O)n1
InChIInChI=1S/C8H9FN2O2/c1-8(2,9)7-10-4-3-5(11-7)6(12)13/h3-4H,1-2H3,(H,12,13)
InChIKeyBOUDTKLVVLJPKH-UHFFFAOYSA-N
XLogP1.38
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.17
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoropropan-2-yl)pyrimidine-4-carboxylic acid?
The IUPAC name of 2-(2-fluoropropan-2-yl)pyrimidine-4-carboxylic acid (CID 130114946) is 2-(2-fluoropropan-2-yl)pyrimidine-4-carboxylic acid.
What is the SMILES notation for 2-(2-fluoropropan-2-yl)pyrimidine-4-carboxylic acid?
The canonical SMILES for 2-(2-fluoropropan-2-yl)pyrimidine-4-carboxylic acid is CC(C)(F)c1nccc(C(=O)O)n1.
What is the InChIKey of 2-(2-fluoropropan-2-yl)pyrimidine-4-carboxylic acid?
The InChIKey is BOUDTKLVVLJPKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FN2O2/c1-8(2,9)7-10-4-3-5(11-7)6(12)13/h3-4H,1-2H3,(H,12,13).
What are the key properties of 2-(2-fluoropropan-2-yl)pyrimidine-4-carboxylic acid?
2-(2-fluoropropan-2-yl)pyrimidine-4-carboxylic acid has a molecular weight of 184.17 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoropropan-2-yl)pyrimidine-4-carboxylic acid is sourced from PubChem (CID 130114946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).