6-(2-fluoroethoxy)pyrimidine-4-carboxylic acid

C7H7FN2O3 — CID 166038660

IUPAC6-(2-fluoroethoxy)pyrimidine-4-carboxylic acid
SMILESO=C(O)c1cc(OCCF)ncn1
InChIInChI=1S/C7H7FN2O3/c8-1-2-13-6-3-5(7(11)12)9-4-10-6/h3-4H,1-2H2,(H,11,12)
InChIKeyNDFVFRLIOCBZCJ-UHFFFAOYSA-N
MW186.14 g/mol
LogP0.52
Rot. Bonds4

About 6-(2-fluoroethoxy)pyrimidine-4-carboxylic acid

6-(2-fluoroethoxy)pyrimidine-4-carboxylic acid (PubChem CID 166038660) has the molecular formula C7H7FN2O3 and a molecular weight of 186.14 g/mol. Its IUPAC name is 6-(2-fluoroethoxy)pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name6-(2-fluoroethoxy)pyrimidine-4-carboxylic acid
PubChem CID166038660
Molecular FormulaC7H7FN2O3
Molecular Weight186.14 g/mol
Exact Mass186.04
IUPAC Name6-(2-fluoroethoxy)pyrimidine-4-carboxylic acid
SMILESO=C(O)c1cc(OCCF)ncn1
InChIInChI=1S/C7H7FN2O3/c8-1-2-13-6-3-5(7(11)12)9-4-10-6/h3-4H,1-2H2,(H,11,12)
InChIKeyNDFVFRLIOCBZCJ-UHFFFAOYSA-N
XLogP0.52
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.14
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,6-Dimethoxypyrimidine-4-carboxylic acid
CID 2736210
6-methoxypyrimidine-4-carboxylic Acid
CID 3300297
Methyl 2,6-dimethoxypyrimidine-4-carboxylate
CID 330001
5-Fluoro-6-methoxypyrimidine-4-carboxylic acid
CID 91812170
6-Ethoxypyrimidine-4-carbaldehyde
CID 83872553
(4,4-Difluoro-3-methylbut-3-enyl) 6-butoxy-2-methylpyrimidine-4-carboxylate
CID 23020219
6-[(4-Oxocyclohexyl)oxy]-2-(trifluoromethyl)pyrimidine-4-carboxylic acid
CID 71257331
6-Methoxy-2-(trifluoromethyl)-4-pyrimidinecarboxylic acid
CID 83822724
Methyl 2-chloro-6-(2,2,2-trifluoroethoxy)pyrimidine-4-carboxylate
CID 89115022
6-(Difluoromethoxy)-5-methylpyrimidine-4-carboxylic acid
CID 117819056
Ethyl 5-fluoro-6-methoxypyrimidine-4-carboxylate
CID 126751913
Methyl 5-fluoro-6-methoxypyrimidine-4-carboxylate
CID 152009770

Frequently Asked Questions

What is the IUPAC name of 6-(2-fluoroethoxy)pyrimidine-4-carboxylic acid?
The IUPAC name of 6-(2-fluoroethoxy)pyrimidine-4-carboxylic acid (CID 166038660) is 6-(2-fluoroethoxy)pyrimidine-4-carboxylic acid.
What is the SMILES notation for 6-(2-fluoroethoxy)pyrimidine-4-carboxylic acid?
The canonical SMILES for 6-(2-fluoroethoxy)pyrimidine-4-carboxylic acid is O=C(O)c1cc(OCCF)ncn1.
What is the InChIKey of 6-(2-fluoroethoxy)pyrimidine-4-carboxylic acid?
The InChIKey is NDFVFRLIOCBZCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7FN2O3/c8-1-2-13-6-3-5(7(11)12)9-4-10-6/h3-4H,1-2H2,(H,11,12).
What are the key properties of 6-(2-fluoroethoxy)pyrimidine-4-carboxylic acid?
6-(2-fluoroethoxy)pyrimidine-4-carboxylic acid has a molecular weight of 186.14 g/mol, XLogP of 0.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluoroethoxy)pyrimidine-4-carboxylic acid is sourced from PubChem (CID 166038660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).