methyl 5-hydroxypyridine-2-carboxylate;methyl 5-(2,2,3,3-tetrafluoropropoxy)pyridine-2-carboxylate

C17H16F4N2O6 — CID 158310227

IUPACmethyl 5-hydroxypyridine-2-carboxylate;methyl 5-(2,2,3,3-tetrafluoropropoxy)pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(O)cn1.COC(=O)c1ccc(OCC(F)(F)C(F)F)cn1
InChIInChI=1S/C10H9F4NO3.C7H7NO3/c1-17-8(16)7-3-2-6(4-15-7)18-5-10(13,14)9(11)12;1-11-7(10)6-3-2-5(9)4-8-6/h2-4,9H,5H2,1H3;2-4,9H,1H3
InChIKeyGNPARBWMBSBEJU-UHFFFAOYSA-N
MW420.32 g/mol
LogP2.72
Rot. Bonds6

About methyl 5-hydroxypyridine-2-carboxylate;methyl 5-(2,2,3,3-tetrafluoropropoxy)pyridine-2-carboxylate

methyl 5-hydroxypyridine-2-carboxylate;methyl 5-(2,2,3,3-tetrafluoropropoxy)pyridine-2-carboxylate (PubChem CID 158310227) has the molecular formula C17H16F4N2O6 and a molecular weight of 420.32 g/mol. Its IUPAC name is methyl 5-hydroxypyridine-2-carboxylate;methyl 5-(2,2,3,3-tetrafluoropropoxy)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-hydroxypyridine-2-carboxylate;methyl 5-(2,2,3,3-tetrafluoropropoxy)pyridine-2-carboxylate
PubChem CID158310227
Molecular FormulaC17H16F4N2O6
Molecular Weight420.32 g/mol
Exact Mass420.09
IUPAC Namemethyl 5-hydroxypyridine-2-carboxylate;methyl 5-(2,2,3,3-tetrafluoropropoxy)pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(O)cn1.COC(=O)c1ccc(OCC(F)(F)C(F)F)cn1
InChIInChI=1S/C10H9F4NO3.C7H7NO3/c1-17-8(16)7-3-2-6(4-15-7)18-5-10(13,14)9(11)12;1-11-7(10)6-3-2-5(9)4-8-6/h2-4,9H,5H2,1H3;2-4,9H,1H3
InChIKeyGNPARBWMBSBEJU-UHFFFAOYSA-N
XLogP2.72
TPSA107.84 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.32
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

5-(2,2,2-Trifluoroethoxy)pyridine-2-carboxylic acid
CID 57475854
Picolinic acid, 5-(p-tolyloxy)-
CID 3055222
Picolinic acid, 5-(m-chlorophenoxy)-
CID 3055226
5-Butoxypicolinic acid
CID 173872
5-(Benzyloxy)pyridine-2-carboxylic acid
CID 18379352
3-(2,2,2-Trifluoroethoxy)pyridine-2-carboxylic acid
CID 57475879
5-Propoxypyridine-2-carboxylic acid
CID 12919808
5-(Cyclopropylmethoxy)pyridine-2-carboxylic acid
CID 66691895
3-[[6-(Trifluoromethyl)pyridin-3-yl]oxymethyl]benzoic acid
CID 155154076
Picolinic acid, 5-(p-chlorophenoxy)-
CID 55998
5-Trifluoropentoxypicolinic acid
CID 156082
Picolinic acid, 5-(p-nitrophenoxy)-
CID 3048868

Frequently Asked Questions

What is the IUPAC name of methyl 5-hydroxypyridine-2-carboxylate;methyl 5-(2,2,3,3-tetrafluoropropoxy)pyridine-2-carboxylate?
The IUPAC name of methyl 5-hydroxypyridine-2-carboxylate;methyl 5-(2,2,3,3-tetrafluoropropoxy)pyridine-2-carboxylate (CID 158310227) is methyl 5-hydroxypyridine-2-carboxylate;methyl 5-(2,2,3,3-tetrafluoropropoxy)pyridine-2-carboxylate.
What is the SMILES notation for methyl 5-hydroxypyridine-2-carboxylate;methyl 5-(2,2,3,3-tetrafluoropropoxy)pyridine-2-carboxylate?
The canonical SMILES for methyl 5-hydroxypyridine-2-carboxylate;methyl 5-(2,2,3,3-tetrafluoropropoxy)pyridine-2-carboxylate is COC(=O)c1ccc(O)cn1.COC(=O)c1ccc(OCC(F)(F)C(F)F)cn1.
What is the InChIKey of methyl 5-hydroxypyridine-2-carboxylate;methyl 5-(2,2,3,3-tetrafluoropropoxy)pyridine-2-carboxylate?
The InChIKey is GNPARBWMBSBEJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F4NO3.C7H7NO3/c1-17-8(16)7-3-2-6(4-15-7)18-5-10(13,14)9(11)12;1-11-7(10)6-3-2-5(9)4-8-6/h2-4,9H,5H2,1H3;2-4,9H,1H3.
What are the key properties of methyl 5-hydroxypyridine-2-carboxylate;methyl 5-(2,2,3,3-tetrafluoropropoxy)pyridine-2-carboxylate?
methyl 5-hydroxypyridine-2-carboxylate;methyl 5-(2,2,3,3-tetrafluoropropoxy)pyridine-2-carboxylate has a molecular weight of 420.32 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-hydroxypyridine-2-carboxylate;methyl 5-(2,2,3,3-tetrafluoropropoxy)pyridine-2-carboxylate is sourced from PubChem (CID 158310227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).