6-[4-(2,5-difluorophenyl)piperazin-1-yl]pyridine-2-carboxylic acid

C16H15F2N3O2 — CID 122048867

IUPAC6-[4-(2,5-difluorophenyl)piperazin-1-yl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(N2CCN(c3cc(F)ccc3F)CC2)n1
InChIInChI=1S/C16H15F2N3O2/c17-11-4-5-12(18)14(10-11)20-6-8-21(9-7-20)15-3-1-2-13(19-15)16(22)23/h1-5,10H,6-9H2,(H,22,23)
InChIKeyXIZPVPBJWAOVPV-UHFFFAOYSA-N
MW319.31 g/mol
LogP2.38
Rot. Bonds3

About 6-[4-(2,5-difluorophenyl)piperazin-1-yl]pyridine-2-carboxylic acid

6-[4-(2,5-difluorophenyl)piperazin-1-yl]pyridine-2-carboxylic acid (PubChem CID 122048867) has the molecular formula C16H15F2N3O2 and a molecular weight of 319.31 g/mol. Its IUPAC name is 6-[4-(2,5-difluorophenyl)piperazin-1-yl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[4-(2,5-difluorophenyl)piperazin-1-yl]pyridine-2-carboxylic acid
PubChem CID122048867
Molecular FormulaC16H15F2N3O2
Molecular Weight319.31 g/mol
Exact Mass319.11
IUPAC Name6-[4-(2,5-difluorophenyl)piperazin-1-yl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(N2CCN(c3cc(F)ccc3F)CC2)n1
InChIInChI=1S/C16H15F2N3O2/c17-11-4-5-12(18)14(10-11)20-6-8-21(9-7-20)15-3-1-2-13(19-15)16(22)23/h1-5,10H,6-9H2,(H,22,23)
InChIKeyXIZPVPBJWAOVPV-UHFFFAOYSA-N
XLogP2.38
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.31
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(2,5-difluorophenyl)piperazin-1-yl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[4-(2,5-difluorophenyl)piperazin-1-yl]pyridine-2-carboxylic acid (CID 122048867) is 6-[4-(2,5-difluorophenyl)piperazin-1-yl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[4-(2,5-difluorophenyl)piperazin-1-yl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[4-(2,5-difluorophenyl)piperazin-1-yl]pyridine-2-carboxylic acid is O=C(O)c1cccc(N2CCN(c3cc(F)ccc3F)CC2)n1.
What is the InChIKey of 6-[4-(2,5-difluorophenyl)piperazin-1-yl]pyridine-2-carboxylic acid?
The InChIKey is XIZPVPBJWAOVPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2N3O2/c17-11-4-5-12(18)14(10-11)20-6-8-21(9-7-20)15-3-1-2-13(19-15)16(22)23/h1-5,10H,6-9H2,(H,22,23).
What are the key properties of 6-[4-(2,5-difluorophenyl)piperazin-1-yl]pyridine-2-carboxylic acid?
6-[4-(2,5-difluorophenyl)piperazin-1-yl]pyridine-2-carboxylic acid has a molecular weight of 319.31 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2,5-difluorophenyl)piperazin-1-yl]pyridine-2-carboxylic acid is sourced from PubChem (CID 122048867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).