4-(2,5-difluoroanilino)pyrimidine-5-carboxylic acid

C11H7F2N3O2 — CID 115148846

IUPAC4-(2,5-difluoroanilino)pyrimidine-5-carboxylic acid
SMILESO=C(O)c1cncnc1Nc1cc(F)ccc1F
InChIInChI=1S/C11H7F2N3O2/c12-6-1-2-8(13)9(3-6)16-10-7(11(17)18)4-14-5-15-10/h1-5H,(H,17,18)(H,14,15,16)
InChIKeyZHPIUVITSWFJCB-UHFFFAOYSA-N
MW251.19 g/mol
LogP2.20
Rot. Bonds3

About 4-(2,5-difluoroanilino)pyrimidine-5-carboxylic acid

4-(2,5-difluoroanilino)pyrimidine-5-carboxylic acid (PubChem CID 115148846) has the molecular formula C11H7F2N3O2 and a molecular weight of 251.19 g/mol. Its IUPAC name is 4-(2,5-difluoroanilino)pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4-(2,5-difluoroanilino)pyrimidine-5-carboxylic acid
PubChem CID115148846
Molecular FormulaC11H7F2N3O2
Molecular Weight251.19 g/mol
Exact Mass251.05
IUPAC Name4-(2,5-difluoroanilino)pyrimidine-5-carboxylic acid
SMILESO=C(O)c1cncnc1Nc1cc(F)ccc1F
InChIInChI=1S/C11H7F2N3O2/c12-6-1-2-8(13)9(3-6)16-10-7(11(17)18)4-14-5-15-10/h1-5H,(H,17,18)(H,14,15,16)
InChIKeyZHPIUVITSWFJCB-UHFFFAOYSA-N
XLogP2.20
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.19
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-bromo-4-fluoroanilino)pyrimidine-5-carboxylic acid
CID 114214052
4-(2-fluoroanilino)pyrimidine-5-carboxylic acid
CID 28906049
4-(4-fluoro-3-methylanilino)pyrimidine-5-carboxylic acid
CID 115148840
4-(2,5-difluoroanilino)-6-methylpyridine-3-carboxylic acid
CID 81233035
5-amino-2-(2,5-difluoroanilino)pyridine-3-carboxamide
CID 61359558
4-[[5-amino-6-(2,5-difluoroanilino)pyrimidin-4-yl]amino]benzoic acid
CID 19153865
4-(3-chloroanilino)pyrimidine-5-carboxylic acid
CID 28906082
4-(4-bromo-2-ethylanilino)pyrimidine-5-carboxylic acid
CID 114214554
4-(hydroxyamino)pyrimidine-5-carboxylic acid
CID 127018723
4-[(2-chloro-5-fluoroanilino)methyl]pyrimidine-5-carboxylic acid
CID 107528906
6-(2,5-difluoroanilino)-5-nitropyridine-3-carboxylic acid
CID 81441461
2-amino-5-(2,5-difluoroanilino)benzoic acid
CID 55021325

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-difluoroanilino)pyrimidine-5-carboxylic acid?
The IUPAC name of 4-(2,5-difluoroanilino)pyrimidine-5-carboxylic acid (CID 115148846) is 4-(2,5-difluoroanilino)pyrimidine-5-carboxylic acid.
What is the SMILES notation for 4-(2,5-difluoroanilino)pyrimidine-5-carboxylic acid?
The canonical SMILES for 4-(2,5-difluoroanilino)pyrimidine-5-carboxylic acid is O=C(O)c1cncnc1Nc1cc(F)ccc1F.
What is the InChIKey of 4-(2,5-difluoroanilino)pyrimidine-5-carboxylic acid?
The InChIKey is ZHPIUVITSWFJCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F2N3O2/c12-6-1-2-8(13)9(3-6)16-10-7(11(17)18)4-14-5-15-10/h1-5H,(H,17,18)(H,14,15,16).
What are the key properties of 4-(2,5-difluoroanilino)pyrimidine-5-carboxylic acid?
4-(2,5-difluoroanilino)pyrimidine-5-carboxylic acid has a molecular weight of 251.19 g/mol, XLogP of 2.20, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-difluoroanilino)pyrimidine-5-carboxylic acid is sourced from PubChem (CID 115148846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).