4-(difluoromethyl)-2-piperidin-1-ylpyrimidine-5-carboxylic acid

C11H13F2N3O2 — CID 55127389

IUPAC4-(difluoromethyl)-2-piperidin-1-ylpyrimidine-5-carboxylic acid
SMILESO=C(O)c1cnc(N2CCCCC2)nc1C(F)F
InChIInChI=1S/C11H13F2N3O2/c12-9(13)8-7(10(17)18)6-14-11(15-8)16-4-2-1-3-5-16/h6,9H,1-5H2,(H,17,18)
InChIKeyHKJNWPOHBLNWEG-UHFFFAOYSA-N
MW257.24 g/mol
LogP2.10
Rot. Bonds3

About 4-(difluoromethyl)-2-piperidin-1-ylpyrimidine-5-carboxylic acid

4-(difluoromethyl)-2-piperidin-1-ylpyrimidine-5-carboxylic acid (PubChem CID 55127389) has the molecular formula C11H13F2N3O2 and a molecular weight of 257.24 g/mol. Its IUPAC name is 4-(difluoromethyl)-2-piperidin-1-ylpyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4-(difluoromethyl)-2-piperidin-1-ylpyrimidine-5-carboxylic acid
PubChem CID55127389
Molecular FormulaC11H13F2N3O2
Molecular Weight257.24 g/mol
Exact Mass257.10
IUPAC Name4-(difluoromethyl)-2-piperidin-1-ylpyrimidine-5-carboxylic acid
SMILESO=C(O)c1cnc(N2CCCCC2)nc1C(F)F
InChIInChI=1S/C11H13F2N3O2/c12-9(13)8-7(10(17)18)6-14-11(15-8)16-4-2-1-3-5-16/h6,9H,1-5H2,(H,17,18)
InChIKeyHKJNWPOHBLNWEG-UHFFFAOYSA-N
XLogP2.10
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.24
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(difluoromethyl)-2-piperidin-1-ylpyrimidine-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

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-2-piperidin-1-ylpyrimidine-5-carboxylic acid?
The IUPAC name of 4-(difluoromethyl)-2-piperidin-1-ylpyrimidine-5-carboxylic acid (CID 55127389) is 4-(difluoromethyl)-2-piperidin-1-ylpyrimidine-5-carboxylic acid.
What is the SMILES notation for 4-(difluoromethyl)-2-piperidin-1-ylpyrimidine-5-carboxylic acid?
The canonical SMILES for 4-(difluoromethyl)-2-piperidin-1-ylpyrimidine-5-carboxylic acid is O=C(O)c1cnc(N2CCCCC2)nc1C(F)F.
What is the InChIKey of 4-(difluoromethyl)-2-piperidin-1-ylpyrimidine-5-carboxylic acid?
The InChIKey is HKJNWPOHBLNWEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2N3O2/c12-9(13)8-7(10(17)18)6-14-11(15-8)16-4-2-1-3-5-16/h6,9H,1-5H2,(H,17,18).
What are the key properties of 4-(difluoromethyl)-2-piperidin-1-ylpyrimidine-5-carboxylic acid?
4-(difluoromethyl)-2-piperidin-1-ylpyrimidine-5-carboxylic acid has a molecular weight of 257.24 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-2-piperidin-1-ylpyrimidine-5-carboxylic acid is sourced from PubChem (CID 55127389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).