methyl 5-amino-6-[(1-fluorocyclopropyl)methylamino]pyridine-2-carboxylate

C11H14FN3O2 — CID 156900084

IUPACmethyl 5-amino-6-[(1-fluorocyclopropyl)methylamino]pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(N)c(NCC2(F)CC2)n1
InChIInChI=1S/C11H14FN3O2/c1-17-10(16)8-3-2-7(13)9(15-8)14-6-11(12)4-5-11/h2-3H,4-6,13H2,1H3,(H,14,15)
InChIKeyDFKMEIXGKRLYGM-UHFFFAOYSA-N
MW239.25 g/mol
LogP1.36
Rot. Bonds4

About methyl 5-amino-6-[(1-fluorocyclopropyl)methylamino]pyridine-2-carboxylate

methyl 5-amino-6-[(1-fluorocyclopropyl)methylamino]pyridine-2-carboxylate (PubChem CID 156900084) has the molecular formula C11H14FN3O2 and a molecular weight of 239.25 g/mol. Its IUPAC name is methyl 5-amino-6-[(1-fluorocyclopropyl)methylamino]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-6-[(1-fluorocyclopropyl)methylamino]pyridine-2-carboxylate
PubChem CID156900084
Molecular FormulaC11H14FN3O2
Molecular Weight239.25 g/mol
Exact Mass239.11
IUPAC Namemethyl 5-amino-6-[(1-fluorocyclopropyl)methylamino]pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(N)c(NCC2(F)CC2)n1
InChIInChI=1S/C11H14FN3O2/c1-17-10(16)8-3-2-7(13)9(15-8)14-6-11(12)4-5-11/h2-3H,4-6,13H2,1H3,(H,14,15)
InChIKeyDFKMEIXGKRLYGM-UHFFFAOYSA-N
XLogP1.36
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.25
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-6-[(1-fluorocyclopropyl)methylamino]pyridine-2-carboxylate?
The IUPAC name of methyl 5-amino-6-[(1-fluorocyclopropyl)methylamino]pyridine-2-carboxylate (CID 156900084) is methyl 5-amino-6-[(1-fluorocyclopropyl)methylamino]pyridine-2-carboxylate.
What is the SMILES notation for methyl 5-amino-6-[(1-fluorocyclopropyl)methylamino]pyridine-2-carboxylate?
The canonical SMILES for methyl 5-amino-6-[(1-fluorocyclopropyl)methylamino]pyridine-2-carboxylate is COC(=O)c1ccc(N)c(NCC2(F)CC2)n1.
What is the InChIKey of methyl 5-amino-6-[(1-fluorocyclopropyl)methylamino]pyridine-2-carboxylate?
The InChIKey is DFKMEIXGKRLYGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN3O2/c1-17-10(16)8-3-2-7(13)9(15-8)14-6-11(12)4-5-11/h2-3H,4-6,13H2,1H3,(H,14,15).
What are the key properties of methyl 5-amino-6-[(1-fluorocyclopropyl)methylamino]pyridine-2-carboxylate?
methyl 5-amino-6-[(1-fluorocyclopropyl)methylamino]pyridine-2-carboxylate has a molecular weight of 239.25 g/mol, XLogP of 1.36, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-6-[(1-fluorocyclopropyl)methylamino]pyridine-2-carboxylate is sourced from PubChem (CID 156900084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).