propan-2-yl 2-ethoxy-6-fluoropyridine-3-carboxylate

C11H14FNO3 — CID 133054531

IUPACpropan-2-yl 2-ethoxy-6-fluoropyridine-3-carboxylate
SMILESCCOc1nc(F)ccc1C(=O)OC(C)C
InChIInChI=1S/C11H14FNO3/c1-4-15-10-8(5-6-9(12)13-10)11(14)16-7(2)3/h5-7H,4H2,1-3H3
InChIKeyWHETYOALIFZGPN-UHFFFAOYSA-N
MW227.23 g/mol
LogP2.18
Rot. Bonds4

About propan-2-yl 2-ethoxy-6-fluoropyridine-3-carboxylate

propan-2-yl 2-ethoxy-6-fluoropyridine-3-carboxylate (PubChem CID 133054531) has the molecular formula C11H14FNO3 and a molecular weight of 227.23 g/mol. Its IUPAC name is propan-2-yl 2-ethoxy-6-fluoropyridine-3-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 2-ethoxy-6-fluoropyridine-3-carboxylate
PubChem CID133054531
Molecular FormulaC11H14FNO3
Molecular Weight227.23 g/mol
Exact Mass227.10
IUPAC Namepropan-2-yl 2-ethoxy-6-fluoropyridine-3-carboxylate
SMILESCCOc1nc(F)ccc1C(=O)OC(C)C
InChIInChI=1S/C11H14FNO3/c1-4-15-10-8(5-6-9(12)13-10)11(14)16-7(2)3/h5-7H,4H2,1-3H3
InChIKeyWHETYOALIFZGPN-UHFFFAOYSA-N
XLogP2.18
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.23
LogP ≤ 52.18
H-Bond Donors ≤ 50
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 propan-2-yl 2-ethoxy-6-fluoropyridine-3-carboxylate?
The IUPAC name of propan-2-yl 2-ethoxy-6-fluoropyridine-3-carboxylate (CID 133054531) is propan-2-yl 2-ethoxy-6-fluoropyridine-3-carboxylate.
What is the SMILES notation for propan-2-yl 2-ethoxy-6-fluoropyridine-3-carboxylate?
The canonical SMILES for propan-2-yl 2-ethoxy-6-fluoropyridine-3-carboxylate is CCOc1nc(F)ccc1C(=O)OC(C)C.
What is the InChIKey of propan-2-yl 2-ethoxy-6-fluoropyridine-3-carboxylate?
The InChIKey is WHETYOALIFZGPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO3/c1-4-15-10-8(5-6-9(12)13-10)11(14)16-7(2)3/h5-7H,4H2,1-3H3.
What are the key properties of propan-2-yl 2-ethoxy-6-fluoropyridine-3-carboxylate?
propan-2-yl 2-ethoxy-6-fluoropyridine-3-carboxylate has a molecular weight of 227.23 g/mol, XLogP of 2.18, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-ethoxy-6-fluoropyridine-3-carboxylate is sourced from PubChem (CID 133054531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).