methyl 6-fluoro-4-(methylamino)pyridine-3-carboxylate

C8H9FN2O2 — CID 134817351

IUPACmethyl 6-fluoro-4-(methylamino)pyridine-3-carboxylate
SMILESCNc1cc(F)ncc1C(=O)OC
InChIInChI=1S/C8H9FN2O2/c1-10-6-3-7(9)11-4-5(6)8(12)13-2/h3-4H,1-2H3,(H,10,11)
InChIKeyXJJUEYFLPMCSNN-UHFFFAOYSA-N
MW184.17 g/mol
LogP1.05
Rot. Bonds2

About methyl 6-fluoro-4-(methylamino)pyridine-3-carboxylate

methyl 6-fluoro-4-(methylamino)pyridine-3-carboxylate (PubChem CID 134817351) has the molecular formula C8H9FN2O2 and a molecular weight of 184.17 g/mol. Its IUPAC name is methyl 6-fluoro-4-(methylamino)pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-fluoro-4-(methylamino)pyridine-3-carboxylate
PubChem CID134817351
Molecular FormulaC8H9FN2O2
Molecular Weight184.17 g/mol
Exact Mass184.06
IUPAC Namemethyl 6-fluoro-4-(methylamino)pyridine-3-carboxylate
SMILESCNc1cc(F)ncc1C(=O)OC
InChIInChI=1S/C8H9FN2O2/c1-10-6-3-7(9)11-4-5(6)8(12)13-2/h3-4H,1-2H3,(H,10,11)
InChIKeyXJJUEYFLPMCSNN-UHFFFAOYSA-N
XLogP1.05
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.17
LogP ≤ 51.05
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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Frequently Asked Questions

What is the IUPAC name of methyl 6-fluoro-4-(methylamino)pyridine-3-carboxylate?
The IUPAC name of methyl 6-fluoro-4-(methylamino)pyridine-3-carboxylate (CID 134817351) is methyl 6-fluoro-4-(methylamino)pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-fluoro-4-(methylamino)pyridine-3-carboxylate?
The canonical SMILES for methyl 6-fluoro-4-(methylamino)pyridine-3-carboxylate is CNc1cc(F)ncc1C(=O)OC.
What is the InChIKey of methyl 6-fluoro-4-(methylamino)pyridine-3-carboxylate?
The InChIKey is XJJUEYFLPMCSNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FN2O2/c1-10-6-3-7(9)11-4-5(6)8(12)13-2/h3-4H,1-2H3,(H,10,11).
What are the key properties of methyl 6-fluoro-4-(methylamino)pyridine-3-carboxylate?
methyl 6-fluoro-4-(methylamino)pyridine-3-carboxylate has a molecular weight of 184.17 g/mol, XLogP of 1.05, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-fluoro-4-(methylamino)pyridine-3-carboxylate is sourced from PubChem (CID 134817351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).