tert-butyl 6-amino-2-fluoropyridine-3-carboxylate

C10H13FN2O2 — CID 21467261

IUPACtert-butyl 6-amino-2-fluoropyridine-3-carboxylate
SMILESCC(C)(C)OC(=O)c1ccc(N)nc1F
InChIInChI=1S/C10H13FN2O2/c1-10(2,3)15-9(14)6-4-5-7(12)13-8(6)11/h4-5H,1-3H3,(H2,12,13)
InChIKeyCRVPYYUHKNQFIS-UHFFFAOYSA-N
MW212.22 g/mol
LogP1.76
Rot. Bonds1

About tert-butyl 6-amino-2-fluoropyridine-3-carboxylate

tert-butyl 6-amino-2-fluoropyridine-3-carboxylate (PubChem CID 21467261) has the molecular formula C10H13FN2O2 and a molecular weight of 212.22 g/mol. Its IUPAC name is tert-butyl 6-amino-2-fluoropyridine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl 6-amino-2-fluoropyridine-3-carboxylate
PubChem CID21467261
Molecular FormulaC10H13FN2O2
Molecular Weight212.22 g/mol
Exact Mass212.10
IUPAC Nametert-butyl 6-amino-2-fluoropyridine-3-carboxylate
SMILESCC(C)(C)OC(=O)c1ccc(N)nc1F
InChIInChI=1S/C10H13FN2O2/c1-10(2,3)15-9(14)6-4-5-7(12)13-8(6)11/h4-5H,1-3H3,(H2,12,13)
InChIKeyCRVPYYUHKNQFIS-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

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 2-amino-3-fluoro-4-(trifluoromethoxy)benzoate
CID 167735414
tert-butyl 2-amino-5-fluoropyridine-3-carboxylate
CID 133055354
tert-butyl 2,6-difluoropyridine-3-carboxylate;tert-butyl 2,2,2-trichloroethanimidate;2,6-difluoropyridine-3-carboxylic acid
CID 159327772
tert-butyl 4-amino-2-fluoropyridine-3-carboxylate
CID 133062943
tert-butyl 2-chloro-6-(trifluoromethyl)pyridine-3-carboxylate
CID 166524788
tert-butyl 6-chloro-2-ethylpyridine-3-carboxylate
CID 166815331
tert-butyl 3-fluoronaphthalene-2-carboxylate
CID 133061227
2-amino-6-[3-amino-2-carboxy-4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]-3-[(2-methylpropan-2-yl)oxycarbonyl]benzoic acid
CID 67060704
tert-butyl 4-fluoro-2-hydroxy-3-iodobenzoate
CID 158323337
[5-fluoro-2-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]boronic acid
CID 167728053
ethane;5-fluoro-2-[(2-methylpropan-2-yl)oxycarbonyl]benzoic acid
CID 69124474
tert-butyl 5-amino-2,4-dimethylbenzoate
CID 102706046

Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-amino-2-fluoropyridine-3-carboxylate?
The IUPAC name of tert-butyl 6-amino-2-fluoropyridine-3-carboxylate (CID 21467261) is tert-butyl 6-amino-2-fluoropyridine-3-carboxylate.
What is the SMILES notation for tert-butyl 6-amino-2-fluoropyridine-3-carboxylate?
The canonical SMILES for tert-butyl 6-amino-2-fluoropyridine-3-carboxylate is CC(C)(C)OC(=O)c1ccc(N)nc1F.
What is the InChIKey of tert-butyl 6-amino-2-fluoropyridine-3-carboxylate?
The InChIKey is CRVPYYUHKNQFIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O2/c1-10(2,3)15-9(14)6-4-5-7(12)13-8(6)11/h4-5H,1-3H3,(H2,12,13).
What are the key properties of tert-butyl 6-amino-2-fluoropyridine-3-carboxylate?
tert-butyl 6-amino-2-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 6-amino-2-fluoropyridine-3-carboxylate is sourced from PubChem (CID 21467261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).