2-[2-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]pyridine-4-carboxylic acid

C15H14F2N4O2 — CID 70742653

IUPAC2-[2-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(-c2ccnc(N3CCC(F)(F)CC3)n2)c1
InChIInChI=1S/C15H14F2N4O2/c16-15(17)3-7-21(8-4-15)14-19-6-2-11(20-14)12-9-10(13(22)23)1-5-18-12/h1-2,5-6,9H,3-4,7-8H2,(H,22,23)
InChIKeyKBIUDUCIKDTJLA-UHFFFAOYSA-N
MW320.30 g/mol
LogP2.47
Rot. Bonds3

About 2-[2-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]pyridine-4-carboxylic acid

2-[2-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]pyridine-4-carboxylic acid (PubChem CID 70742653) has the molecular formula C15H14F2N4O2 and a molecular weight of 320.30 g/mol. Its IUPAC name is 2-[2-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[2-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]pyridine-4-carboxylic acid
PubChem CID70742653
Molecular FormulaC15H14F2N4O2
Molecular Weight320.30 g/mol
Exact Mass320.11
IUPAC Name2-[2-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(-c2ccnc(N3CCC(F)(F)CC3)n2)c1
InChIInChI=1S/C15H14F2N4O2/c16-15(17)3-7-21(8-4-15)14-19-6-2-11(20-14)12-9-10(13(22)23)1-5-18-12/h1-2,5-6,9H,3-4,7-8H2,(H,22,23)
InChIKeyKBIUDUCIKDTJLA-UHFFFAOYSA-N
XLogP2.47
TPSA79.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.30
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[2-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]pyridine-4-carboxylic acid (CID 70742653) is 2-[2-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[2-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[2-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]pyridine-4-carboxylic acid is O=C(O)c1ccnc(-c2ccnc(N3CCC(F)(F)CC3)n2)c1.
What is the InChIKey of 2-[2-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]pyridine-4-carboxylic acid?
The InChIKey is KBIUDUCIKDTJLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N4O2/c16-15(17)3-7-21(8-4-15)14-19-6-2-11(20-14)12-9-10(13(22)23)1-5-18-12/h1-2,5-6,9H,3-4,7-8H2,(H,22,23).
What are the key properties of 2-[2-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]pyridine-4-carboxylic acid?
2-[2-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]pyridine-4-carboxylic acid has a molecular weight of 320.30 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]pyridine-4-carboxylic acid is sourced from PubChem (CID 70742653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).