4-(6-fluoro-5-methoxy-2-pyridinyl)-4-hydroxypiperidine-1-carboxylic acid

C12H15FN2O4 — CID 69448367

IUPAC4-(6-fluoro-5-methoxy-2-pyridinyl)-4-hydroxypiperidine-1-carboxylic acid
SMILESCOc1ccc(C2(O)CCN(C(=O)O)CC2)nc1F
InChIInChI=1S/C12H15FN2O4/c1-19-8-2-3-9(14-10(8)13)12(18)4-6-15(7-5-12)11(16)17/h2-3,18H,4-7H2,1H3,(H,16,17)
InChIKeyBIHIBKKYBCRZAP-UHFFFAOYSA-N
MW270.26 g/mol
LogP1.19
Rot. Bonds2

About 4-(6-fluoro-5-methoxy-2-pyridinyl)-4-hydroxypiperidine-1-carboxylic acid

4-(6-fluoro-5-methoxy-2-pyridinyl)-4-hydroxypiperidine-1-carboxylic acid (PubChem CID 69448367) has the molecular formula C12H15FN2O4 and a molecular weight of 270.26 g/mol. Its IUPAC name is 4-(6-fluoro-5-methoxy-2-pyridinyl)-4-hydroxypiperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-(6-fluoro-5-methoxy-2-pyridinyl)-4-hydroxypiperidine-1-carboxylic acid
PubChem CID69448367
Molecular FormulaC12H15FN2O4
Molecular Weight270.26 g/mol
Exact Mass270.10
IUPAC Name4-(6-fluoro-5-methoxy-2-pyridinyl)-4-hydroxypiperidine-1-carboxylic acid
SMILESCOc1ccc(C2(O)CCN(C(=O)O)CC2)nc1F
InChIInChI=1S/C12H15FN2O4/c1-19-8-2-3-9(14-10(8)13)12(18)4-6-15(7-5-12)11(16)17/h2-3,18H,4-7H2,1H3,(H,16,17)
InChIKeyBIHIBKKYBCRZAP-UHFFFAOYSA-N
XLogP1.19
TPSA82.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.26
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(6-fluoro-5-methoxy-2-pyridinyl)-4-hydroxypiperidine-1-carboxylic acid?
The IUPAC name of 4-(6-fluoro-5-methoxy-2-pyridinyl)-4-hydroxypiperidine-1-carboxylic acid (CID 69448367) is 4-(6-fluoro-5-methoxy-2-pyridinyl)-4-hydroxypiperidine-1-carboxylic acid.
What is the SMILES notation for 4-(6-fluoro-5-methoxy-2-pyridinyl)-4-hydroxypiperidine-1-carboxylic acid?
The canonical SMILES for 4-(6-fluoro-5-methoxy-2-pyridinyl)-4-hydroxypiperidine-1-carboxylic acid is COc1ccc(C2(O)CCN(C(=O)O)CC2)nc1F.
What is the InChIKey of 4-(6-fluoro-5-methoxy-2-pyridinyl)-4-hydroxypiperidine-1-carboxylic acid?
The InChIKey is BIHIBKKYBCRZAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O4/c1-19-8-2-3-9(14-10(8)13)12(18)4-6-15(7-5-12)11(16)17/h2-3,18H,4-7H2,1H3,(H,16,17).
What are the key properties of 4-(6-fluoro-5-methoxy-2-pyridinyl)-4-hydroxypiperidine-1-carboxylic acid?
4-(6-fluoro-5-methoxy-2-pyridinyl)-4-hydroxypiperidine-1-carboxylic acid has a molecular weight of 270.26 g/mol, XLogP of 1.19, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-fluoro-5-methoxy-2-pyridinyl)-4-hydroxypiperidine-1-carboxylic acid is sourced from PubChem (CID 69448367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).