tert-butyl 2-amino-5-fluoropyridine-3-carboxylate

C10H13FN2O2 — CID 133055354

IUPACtert-butyl 2-amino-5-fluoropyridine-3-carboxylate
SMILESCC(C)(C)OC(=O)c1cc(F)cnc1N
InChIInChI=1S/C10H13FN2O2/c1-10(2,3)15-9(14)7-4-6(11)5-13-8(7)12/h4-5H,1-3H3,(H2,12,13)
InChIKeyAOMKGLAEYGJUGT-UHFFFAOYSA-N
MW212.22 g/mol
LogP1.76
Rot. Bonds1

About tert-butyl 2-amino-5-fluoropyridine-3-carboxylate

tert-butyl 2-amino-5-fluoropyridine-3-carboxylate (PubChem CID 133055354) has the molecular formula C10H13FN2O2 and a molecular weight of 212.22 g/mol. Its IUPAC name is tert-butyl 2-amino-5-fluoropyridine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-amino-5-fluoropyridine-3-carboxylate
PubChem CID133055354
Molecular FormulaC10H13FN2O2
Molecular Weight212.22 g/mol
Exact Mass212.10
IUPAC Nametert-butyl 2-amino-5-fluoropyridine-3-carboxylate
SMILESCC(C)(C)OC(=O)c1cc(F)cnc1N
InChIInChI=1S/C10H13FN2O2/c1-10(2,3)15-9(14)7-4-6(11)5-13-8(7)12/h4-5H,1-3H3,(H2,12,13)
InChIKeyAOMKGLAEYGJUGT-UHFFFAOYSA-N
XLogP1.76
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.22
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-amino-5-fluoropyridine-3-carboxylate?
The IUPAC name of tert-butyl 2-amino-5-fluoropyridine-3-carboxylate (CID 133055354) is tert-butyl 2-amino-5-fluoropyridine-3-carboxylate.
What is the SMILES notation for tert-butyl 2-amino-5-fluoropyridine-3-carboxylate?
The canonical SMILES for tert-butyl 2-amino-5-fluoropyridine-3-carboxylate is CC(C)(C)OC(=O)c1cc(F)cnc1N.
What is the InChIKey of tert-butyl 2-amino-5-fluoropyridine-3-carboxylate?
The InChIKey is AOMKGLAEYGJUGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O2/c1-10(2,3)15-9(14)7-4-6(11)5-13-8(7)12/h4-5H,1-3H3,(H2,12,13).
What are the key properties of tert-butyl 2-amino-5-fluoropyridine-3-carboxylate?
tert-butyl 2-amino-5-fluoropyridine-3-carboxylate has a molecular weight of 212.22 g/mol, XLogP of 1.76, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-amino-5-fluoropyridine-3-carboxylate is sourced from PubChem (CID 133055354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).