4-(3-amino-5,6-difluoro-2-pyridinyl)piperidine-1-carboxylic acid

C11H13F2N3O2 — CID 141339647

IUPAC4-(3-amino-5,6-difluoro-2-pyridinyl)piperidine-1-carboxylic acid
SMILESNc1cc(F)c(F)nc1C1CCN(C(=O)O)CC1
InChIInChI=1S/C11H13F2N3O2/c12-7-5-8(14)9(15-10(7)13)6-1-3-16(4-2-6)11(17)18/h5-6H,1-4,14H2,(H,17,18)
InChIKeyMDWTZCHHBJSYLR-UHFFFAOYSA-N
MW257.24 g/mol
LogP1.80
Rot. Bonds1

About 4-(3-amino-5,6-difluoro-2-pyridinyl)piperidine-1-carboxylic acid

4-(3-amino-5,6-difluoro-2-pyridinyl)piperidine-1-carboxylic acid (PubChem CID 141339647) has the molecular formula C11H13F2N3O2 and a molecular weight of 257.24 g/mol. Its IUPAC name is 4-(3-amino-5,6-difluoro-2-pyridinyl)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-(3-amino-5,6-difluoro-2-pyridinyl)piperidine-1-carboxylic acid
PubChem CID141339647
Molecular FormulaC11H13F2N3O2
Molecular Weight257.24 g/mol
Exact Mass257.10
IUPAC Name4-(3-amino-5,6-difluoro-2-pyridinyl)piperidine-1-carboxylic acid
SMILESNc1cc(F)c(F)nc1C1CCN(C(=O)O)CC1
InChIInChI=1S/C11H13F2N3O2/c12-7-5-8(14)9(15-10(7)13)6-1-3-16(4-2-6)11(17)18/h5-6H,1-4,14H2,(H,17,18)
InChIKeyMDWTZCHHBJSYLR-UHFFFAOYSA-N
XLogP1.80
TPSA79.45 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.24
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(3-amino-5,6-difluoro-2-pyridinyl)piperidine-1-carboxylic acid?
The IUPAC name of 4-(3-amino-5,6-difluoro-2-pyridinyl)piperidine-1-carboxylic acid (CID 141339647) is 4-(3-amino-5,6-difluoro-2-pyridinyl)piperidine-1-carboxylic acid.
What is the SMILES notation for 4-(3-amino-5,6-difluoro-2-pyridinyl)piperidine-1-carboxylic acid?
The canonical SMILES for 4-(3-amino-5,6-difluoro-2-pyridinyl)piperidine-1-carboxylic acid is Nc1cc(F)c(F)nc1C1CCN(C(=O)O)CC1.
What is the InChIKey of 4-(3-amino-5,6-difluoro-2-pyridinyl)piperidine-1-carboxylic acid?
The InChIKey is MDWTZCHHBJSYLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2N3O2/c12-7-5-8(14)9(15-10(7)13)6-1-3-16(4-2-6)11(17)18/h5-6H,1-4,14H2,(H,17,18).
What are the key properties of 4-(3-amino-5,6-difluoro-2-pyridinyl)piperidine-1-carboxylic acid?
4-(3-amino-5,6-difluoro-2-pyridinyl)piperidine-1-carboxylic acid has a molecular weight of 257.24 g/mol, XLogP of 1.80, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-amino-5,6-difluoro-2-pyridinyl)piperidine-1-carboxylic acid is sourced from PubChem (CID 141339647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).