methyl 5-amino-6-(2,2,3,3-tetrafluoropropylamino)pyridine-2-carboxylate

C10H11F4N3O2 — CID 114169838

IUPACmethyl 5-amino-6-(2,2,3,3-tetrafluoropropylamino)pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(N)c(NCC(F)(F)C(F)F)n1
InChIInChI=1S/C10H11F4N3O2/c1-19-8(18)6-3-2-5(15)7(17-6)16-4-10(13,14)9(11)12/h2-3,9H,4,15H2,1H3,(H,16,17)
InChIKeyVQNKFYNAWXMUGI-UHFFFAOYSA-N
MW281.21 g/mol
LogP1.76
Rot. Bonds5

About methyl 5-amino-6-(2,2,3,3-tetrafluoropropylamino)pyridine-2-carboxylate

methyl 5-amino-6-(2,2,3,3-tetrafluoropropylamino)pyridine-2-carboxylate (PubChem CID 114169838) has the molecular formula C10H11F4N3O2 and a molecular weight of 281.21 g/mol. Its IUPAC name is methyl 5-amino-6-(2,2,3,3-tetrafluoropropylamino)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-6-(2,2,3,3-tetrafluoropropylamino)pyridine-2-carboxylate
PubChem CID114169838
Molecular FormulaC10H11F4N3O2
Molecular Weight281.21 g/mol
Exact Mass281.08
IUPAC Namemethyl 5-amino-6-(2,2,3,3-tetrafluoropropylamino)pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(N)c(NCC(F)(F)C(F)F)n1
InChIInChI=1S/C10H11F4N3O2/c1-19-8(18)6-3-2-5(15)7(17-6)16-4-10(13,14)9(11)12/h2-3,9H,4,15H2,1H3,(H,16,17)
InChIKeyVQNKFYNAWXMUGI-UHFFFAOYSA-N
XLogP1.76
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.21
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

6-methoxy-2-N-(2,2,3,3-tetrafluoropropyl)pyridine-2,5-diamine
CID 114169053
methyl 6-amino-5-(trifluoromethyl)pyridine-2-carboxylate
CID 131465361
methyl 5-amino-6-(3-methylsulfanylpropylamino)pyridine-2-carboxylate
CID 114406704
methyl 5-amino-6-(4-methylsulfanylbutylamino)pyridine-2-carboxylate
CID 114407989
methyl 5-amino-6-[(5-ethylthiophen-2-yl)methylamino]pyridine-2-carboxylate
CID 106014430
methyl 5-amino-6-[[3-oxo-3-(propylamino)propyl]amino]pyridine-2-carboxylate
CID 114406226
methyl 5-amino-6-(1,3-thiazol-5-ylmethylamino)pyridine-2-carboxylate
CID 114408077
methyl 5-amino-6-[2-(3-methylphenyl)ethylamino]pyridine-2-carboxylate
CID 114406367
6-[(2-methylpropan-2-yl)oxy]-2-N-(2,2,3,3-tetrafluoropropyl)pyridine-2,5-diamine
CID 106289927
methyl 5-amino-6-[(2,2,3,3-tetramethylcyclopropyl)amino]pyridine-2-carboxylate
CID 114406962
methyl 5-amino-6-[(2-methylcyclopentyl)methylamino]pyridine-2-carboxylate
CID 107420380
methyl 5-amino-6-(4-methoxyanilino)pyridine-2-carboxylate
CID 114404918

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-6-(2,2,3,3-tetrafluoropropylamino)pyridine-2-carboxylate?
The IUPAC name of methyl 5-amino-6-(2,2,3,3-tetrafluoropropylamino)pyridine-2-carboxylate (CID 114169838) is methyl 5-amino-6-(2,2,3,3-tetrafluoropropylamino)pyridine-2-carboxylate.
What is the SMILES notation for methyl 5-amino-6-(2,2,3,3-tetrafluoropropylamino)pyridine-2-carboxylate?
The canonical SMILES for methyl 5-amino-6-(2,2,3,3-tetrafluoropropylamino)pyridine-2-carboxylate is COC(=O)c1ccc(N)c(NCC(F)(F)C(F)F)n1.
What is the InChIKey of methyl 5-amino-6-(2,2,3,3-tetrafluoropropylamino)pyridine-2-carboxylate?
The InChIKey is VQNKFYNAWXMUGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F4N3O2/c1-19-8(18)6-3-2-5(15)7(17-6)16-4-10(13,14)9(11)12/h2-3,9H,4,15H2,1H3,(H,16,17).
What are the key properties of methyl 5-amino-6-(2,2,3,3-tetrafluoropropylamino)pyridine-2-carboxylate?
methyl 5-amino-6-(2,2,3,3-tetrafluoropropylamino)pyridine-2-carboxylate has a molecular weight of 281.21 g/mol, XLogP of 1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-6-(2,2,3,3-tetrafluoropropylamino)pyridine-2-carboxylate is sourced from PubChem (CID 114169838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).