6-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]pyridine-2-carboxylic acid

C18H17F2N3O4 — CID 122053006

IUPAC6-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(N2CCN(C(=O)c3ccccc3OC(F)F)CC2)n1
InChIInChI=1S/C18H17F2N3O4/c19-18(20)27-14-6-2-1-4-12(14)16(24)23-10-8-22(9-11-23)15-7-3-5-13(21-15)17(25)26/h1-7,18H,8-11H2,(H,25,26)
InChIKeyVZGZSACFTMMETE-UHFFFAOYSA-N
MW377.35 g/mol
LogP2.34
Rot. Bonds5

About 6-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]pyridine-2-carboxylic acid

6-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]pyridine-2-carboxylic acid (PubChem CID 122053006) has the molecular formula C18H17F2N3O4 and a molecular weight of 377.35 g/mol. Its IUPAC name is 6-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]pyridine-2-carboxylic acid
PubChem CID122053006
Molecular FormulaC18H17F2N3O4
Molecular Weight377.35 g/mol
Exact Mass377.12
IUPAC Name6-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(N2CCN(C(=O)c3ccccc3OC(F)F)CC2)n1
InChIInChI=1S/C18H17F2N3O4/c19-18(20)27-14-6-2-1-4-12(14)16(24)23-10-8-22(9-11-23)15-7-3-5-13(21-15)17(25)26/h1-7,18H,8-11H2,(H,25,26)
InChIKeyVZGZSACFTMMETE-UHFFFAOYSA-N
XLogP2.34
TPSA82.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.35
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]pyridine-2-carboxylic acid (CID 122053006) is 6-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]pyridine-2-carboxylic acid is O=C(O)c1cccc(N2CCN(C(=O)c3ccccc3OC(F)F)CC2)n1.
What is the InChIKey of 6-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]pyridine-2-carboxylic acid?
The InChIKey is VZGZSACFTMMETE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2N3O4/c19-18(20)27-14-6-2-1-4-12(14)16(24)23-10-8-22(9-11-23)15-7-3-5-13(21-15)17(25)26/h1-7,18H,8-11H2,(H,25,26).
What are the key properties of 6-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]pyridine-2-carboxylic acid?
6-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]pyridine-2-carboxylic acid has a molecular weight of 377.35 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]pyridine-2-carboxylic acid is sourced from PubChem (CID 122053006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).