methyl 5-amino-3-fluoropyridine-2-carboxylate

C7H7FN2O2 — CID 89396497

IUPACmethyl 5-amino-3-fluoropyridine-2-carboxylate
SMILESCOC(=O)c1ncc(N)cc1F
InChIInChI=1S/C7H7FN2O2/c1-12-7(11)6-5(8)2-4(9)3-10-6/h2-3H,9H2,1H3
InChIKeyXTUNSULQZIZQLJ-UHFFFAOYSA-N
MW170.14 g/mol
LogP0.59
Rot. Bonds1

About methyl 5-amino-3-fluoropyridine-2-carboxylate

methyl 5-amino-3-fluoropyridine-2-carboxylate (PubChem CID 89396497) has the molecular formula C7H7FN2O2 and a molecular weight of 170.14 g/mol. Its IUPAC name is methyl 5-amino-3-fluoropyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-3-fluoropyridine-2-carboxylate
PubChem CID89396497
Molecular FormulaC7H7FN2O2
Molecular Weight170.14 g/mol
Exact Mass170.05
IUPAC Namemethyl 5-amino-3-fluoropyridine-2-carboxylate
SMILESCOC(=O)c1ncc(N)cc1F
InChIInChI=1S/C7H7FN2O2/c1-12-7(11)6-5(8)2-4(9)3-10-6/h2-3H,9H2,1H3
InChIKeyXTUNSULQZIZQLJ-UHFFFAOYSA-N
XLogP0.59
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.14
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-3-fluoropyridine-2-carboxylate?
The IUPAC name of methyl 5-amino-3-fluoropyridine-2-carboxylate (CID 89396497) is methyl 5-amino-3-fluoropyridine-2-carboxylate.
What is the SMILES notation for methyl 5-amino-3-fluoropyridine-2-carboxylate?
The canonical SMILES for methyl 5-amino-3-fluoropyridine-2-carboxylate is COC(=O)c1ncc(N)cc1F.
What is the InChIKey of methyl 5-amino-3-fluoropyridine-2-carboxylate?
The InChIKey is XTUNSULQZIZQLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7FN2O2/c1-12-7(11)6-5(8)2-4(9)3-10-6/h2-3H,9H2,1H3.
What are the key properties of methyl 5-amino-3-fluoropyridine-2-carboxylate?
methyl 5-amino-3-fluoropyridine-2-carboxylate has a molecular weight of 170.14 g/mol, XLogP of 0.59, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-3-fluoropyridine-2-carboxylate is sourced from PubChem (CID 89396497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).