4-(2-fluoroanilino)pyrimidine-5-carboxylic acid

C11H8FN3O2 — CID 28906049

IUPAC4-(2-fluoroanilino)pyrimidine-5-carboxylic acid
SMILESO=C(O)c1cncnc1Nc1ccccc1F
InChIInChI=1S/C11H8FN3O2/c12-8-3-1-2-4-9(8)15-10-7(11(16)17)5-13-6-14-10/h1-6H,(H,16,17)(H,13,14,15)
InChIKeyAGHMIYUWCCTNDA-UHFFFAOYSA-N
MW233.20 g/mol
LogP2.06
Rot. Bonds3

About 4-(2-fluoroanilino)pyrimidine-5-carboxylic acid

4-(2-fluoroanilino)pyrimidine-5-carboxylic acid (PubChem CID 28906049) has the molecular formula C11H8FN3O2 and a molecular weight of 233.20 g/mol. Its IUPAC name is 4-(2-fluoroanilino)pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4-(2-fluoroanilino)pyrimidine-5-carboxylic acid
PubChem CID28906049
Molecular FormulaC11H8FN3O2
Molecular Weight233.20 g/mol
Exact Mass233.06
IUPAC Name4-(2-fluoroanilino)pyrimidine-5-carboxylic acid
SMILESO=C(O)c1cncnc1Nc1ccccc1F
InChIInChI=1S/C11H8FN3O2/c12-8-3-1-2-4-9(8)15-10-7(11(16)17)5-13-6-14-10/h1-6H,(H,16,17)(H,13,14,15)
InChIKeyAGHMIYUWCCTNDA-UHFFFAOYSA-N
XLogP2.06
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.20
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(2-fluoroanilino)pyrimidine-5-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(2,5-difluoroanilino)pyrimidine-5-carboxylic acid
CID 115148846
4-(2-bromo-4-fluoroanilino)pyrimidine-5-carboxylic acid
CID 114214052
4-(4-fluoro-3-methylanilino)pyrimidine-5-carboxylic acid
CID 115148840
4-(hydroxyamino)pyrimidine-5-carboxylic acid
CID 127018723
4-(2-methylanilino)pyrimidine-5-carboxamide
CID 175855018
4-(3-chloroanilino)pyrimidine-5-carboxylic acid
CID 28906082
4-(4-bromo-2-ethylanilino)pyrimidine-5-carboxylic acid
CID 114214554
3-(2-fluoroanilino)-6-sulfanylidene-1H-pyridazine-4-carboxylic acid
CID 117102735
N'-[5-amino-6-(2-fluoroanilino)pyrimidin-4-yl]benzohydrazide
CID 19145181
5-fluoro-2-(2-fluoroanilino)benzoic acid
CID 82296808
5-(2-fluoroanilino)pyridine-3-carboxylic acid
CID 82535090
5-amino-2-(3-fluoro-2-iodoanilino)pyridine-3-carboxylic acid
CID 114261298

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoroanilino)pyrimidine-5-carboxylic acid?
The IUPAC name of 4-(2-fluoroanilino)pyrimidine-5-carboxylic acid (CID 28906049) is 4-(2-fluoroanilino)pyrimidine-5-carboxylic acid.
What is the SMILES notation for 4-(2-fluoroanilino)pyrimidine-5-carboxylic acid?
The canonical SMILES for 4-(2-fluoroanilino)pyrimidine-5-carboxylic acid is O=C(O)c1cncnc1Nc1ccccc1F.
What is the InChIKey of 4-(2-fluoroanilino)pyrimidine-5-carboxylic acid?
The InChIKey is AGHMIYUWCCTNDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FN3O2/c12-8-3-1-2-4-9(8)15-10-7(11(16)17)5-13-6-14-10/h1-6H,(H,16,17)(H,13,14,15).
What are the key properties of 4-(2-fluoroanilino)pyrimidine-5-carboxylic acid?
4-(2-fluoroanilino)pyrimidine-5-carboxylic acid has a molecular weight of 233.20 g/mol, XLogP of 2.06, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoroanilino)pyrimidine-5-carboxylic acid is sourced from PubChem (CID 28906049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).