6-(4,4-difluoropiperidin-1-yl)-5-nitrosopyridine-2-carboxylic acid

C11H11F2N3O3 — CID 170178893

IUPAC6-(4,4-difluoropiperidin-1-yl)-5-nitrosopyridine-2-carboxylic acid
SMILESO=Nc1ccc(C(=O)O)nc1N1CCC(F)(F)CC1
InChIInChI=1S/C11H11F2N3O3/c12-11(13)3-5-16(6-4-11)9-7(15-19)1-2-8(14-9)10(17)18/h1-2H,3-6H2,(H,17,18)
InChIKeyVAURBZNCWVPURL-UHFFFAOYSA-N
MW271.22 g/mol
LogP2.41
Rot. Bonds3

About 6-(4,4-difluoropiperidin-1-yl)-5-nitrosopyridine-2-carboxylic acid

6-(4,4-difluoropiperidin-1-yl)-5-nitrosopyridine-2-carboxylic acid (PubChem CID 170178893) has the molecular formula C11H11F2N3O3 and a molecular weight of 271.22 g/mol. Its IUPAC name is 6-(4,4-difluoropiperidin-1-yl)-5-nitrosopyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-(4,4-difluoropiperidin-1-yl)-5-nitrosopyridine-2-carboxylic acid
PubChem CID170178893
Molecular FormulaC11H11F2N3O3
Molecular Weight271.22 g/mol
Exact Mass271.08
IUPAC Name6-(4,4-difluoropiperidin-1-yl)-5-nitrosopyridine-2-carboxylic acid
SMILESO=Nc1ccc(C(=O)O)nc1N1CCC(F)(F)CC1
InChIInChI=1S/C11H11F2N3O3/c12-11(13)3-5-16(6-4-11)9-7(15-19)1-2-8(14-9)10(17)18/h1-2H,3-6H2,(H,17,18)
InChIKeyVAURBZNCWVPURL-UHFFFAOYSA-N
XLogP2.41
TPSA82.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.22
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(4,4-difluoropiperidin-1-yl)-5-nitrosopyridine-2-carboxylic acid?
The IUPAC name of 6-(4,4-difluoropiperidin-1-yl)-5-nitrosopyridine-2-carboxylic acid (CID 170178893) is 6-(4,4-difluoropiperidin-1-yl)-5-nitrosopyridine-2-carboxylic acid.
What is the SMILES notation for 6-(4,4-difluoropiperidin-1-yl)-5-nitrosopyridine-2-carboxylic acid?
The canonical SMILES for 6-(4,4-difluoropiperidin-1-yl)-5-nitrosopyridine-2-carboxylic acid is O=Nc1ccc(C(=O)O)nc1N1CCC(F)(F)CC1.
What is the InChIKey of 6-(4,4-difluoropiperidin-1-yl)-5-nitrosopyridine-2-carboxylic acid?
The InChIKey is VAURBZNCWVPURL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2N3O3/c12-11(13)3-5-16(6-4-11)9-7(15-19)1-2-8(14-9)10(17)18/h1-2H,3-6H2,(H,17,18).
What are the key properties of 6-(4,4-difluoropiperidin-1-yl)-5-nitrosopyridine-2-carboxylic acid?
6-(4,4-difluoropiperidin-1-yl)-5-nitrosopyridine-2-carboxylic acid has a molecular weight of 271.22 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4,4-difluoropiperidin-1-yl)-5-nitrosopyridine-2-carboxylic acid is sourced from PubChem (CID 170178893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).