methyl 3-fluoro-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylate

C12H15FN2O4 — CID 118878176

IUPACmethyl 3-fluoro-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylate
SMILESCOC(=O)c1ncc(NC(=O)OC(C)(C)C)cc1F
InChIInChI=1S/C12H15FN2O4/c1-12(2,3)19-11(17)15-7-5-8(13)9(14-6-7)10(16)18-4/h5-6H,1-4H3,(H,15,17)
InChIKeyVRQJRQPVFNDHQX-UHFFFAOYSA-N
MW270.26 g/mol
LogP2.35
Rot. Bonds2

About methyl 3-fluoro-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylate

methyl 3-fluoro-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylate (PubChem CID 118878176) has the molecular formula C12H15FN2O4 and a molecular weight of 270.26 g/mol. Its IUPAC name is methyl 3-fluoro-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-fluoro-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylate
PubChem CID118878176
Molecular FormulaC12H15FN2O4
Molecular Weight270.26 g/mol
Exact Mass270.10
IUPAC Namemethyl 3-fluoro-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylate
SMILESCOC(=O)c1ncc(NC(=O)OC(C)(C)C)cc1F
InChIInChI=1S/C12H15FN2O4/c1-12(2,3)19-11(17)15-7-5-8(13)9(14-6-7)10(16)18-4/h5-6H,1-4H3,(H,15,17)
InChIKeyVRQJRQPVFNDHQX-UHFFFAOYSA-N
XLogP2.35
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.26
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-fluoro-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylate?
The IUPAC name of methyl 3-fluoro-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylate (CID 118878176) is methyl 3-fluoro-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylate.
What is the SMILES notation for methyl 3-fluoro-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylate?
The canonical SMILES for methyl 3-fluoro-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylate is COC(=O)c1ncc(NC(=O)OC(C)(C)C)cc1F.
What is the InChIKey of methyl 3-fluoro-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylate?
The InChIKey is VRQJRQPVFNDHQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O4/c1-12(2,3)19-11(17)15-7-5-8(13)9(14-6-7)10(16)18-4/h5-6H,1-4H3,(H,15,17).
What are the key properties of methyl 3-fluoro-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylate?
methyl 3-fluoro-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylate has a molecular weight of 270.26 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-fluoro-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylate is sourced from PubChem (CID 118878176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).