4-(5-fluoro-2-pyridinyl)-5-methylpyrimidine-2-carboxylic acid

C11H8FN3O2 — CID 156842816

IUPAC4-(5-fluoro-2-pyridinyl)-5-methylpyrimidine-2-carboxylic acid
SMILESCc1cnc(C(=O)O)nc1-c1ccc(F)cn1
InChIInChI=1S/C11H8FN3O2/c1-6-4-14-10(11(16)17)15-9(6)8-3-2-7(12)5-13-8/h2-5H,1H3,(H,16,17)
InChIKeyNCFOKVCGWBPEKB-UHFFFAOYSA-N
MW233.20 g/mol
LogP1.68
Rot. Bonds2

About 4-(5-fluoro-2-pyridinyl)-5-methylpyrimidine-2-carboxylic acid

4-(5-fluoro-2-pyridinyl)-5-methylpyrimidine-2-carboxylic acid (PubChem CID 156842816) has the molecular formula C11H8FN3O2 and a molecular weight of 233.20 g/mol. Its IUPAC name is 4-(5-fluoro-2-pyridinyl)-5-methylpyrimidine-2-carboxylic acid.

Molecular Properties

Compound Name4-(5-fluoro-2-pyridinyl)-5-methylpyrimidine-2-carboxylic acid
PubChem CID156842816
Molecular FormulaC11H8FN3O2
Molecular Weight233.20 g/mol
Exact Mass233.06
IUPAC Name4-(5-fluoro-2-pyridinyl)-5-methylpyrimidine-2-carboxylic acid
SMILESCc1cnc(C(=O)O)nc1-c1ccc(F)cn1
InChIInChI=1S/C11H8FN3O2/c1-6-4-14-10(11(16)17)15-9(6)8-3-2-7(12)5-13-8/h2-5H,1H3,(H,16,17)
InChIKeyNCFOKVCGWBPEKB-UHFFFAOYSA-N
XLogP1.68
TPSA75.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.20
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(5-fluoro-2-pyridinyl)-5-methylpyrimidine-2-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

Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoro-2-pyridinyl)-5-methylpyrimidine-2-carboxylic acid?
The IUPAC name of 4-(5-fluoro-2-pyridinyl)-5-methylpyrimidine-2-carboxylic acid (CID 156842816) is 4-(5-fluoro-2-pyridinyl)-5-methylpyrimidine-2-carboxylic acid.
What is the SMILES notation for 4-(5-fluoro-2-pyridinyl)-5-methylpyrimidine-2-carboxylic acid?
The canonical SMILES for 4-(5-fluoro-2-pyridinyl)-5-methylpyrimidine-2-carboxylic acid is Cc1cnc(C(=O)O)nc1-c1ccc(F)cn1.
What is the InChIKey of 4-(5-fluoro-2-pyridinyl)-5-methylpyrimidine-2-carboxylic acid?
The InChIKey is NCFOKVCGWBPEKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FN3O2/c1-6-4-14-10(11(16)17)15-9(6)8-3-2-7(12)5-13-8/h2-5H,1H3,(H,16,17).
What are the key properties of 4-(5-fluoro-2-pyridinyl)-5-methylpyrimidine-2-carboxylic acid?
4-(5-fluoro-2-pyridinyl)-5-methylpyrimidine-2-carboxylic acid has a molecular weight of 233.20 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluoro-2-pyridinyl)-5-methylpyrimidine-2-carboxylic acid is sourced from PubChem (CID 156842816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).