methyl 2-(2,2,3,3-tetrafluoropropoxy)pyridine-4-carboxylate

C10H9F4NO3 — CID 114074883

IUPACmethyl 2-(2,2,3,3-tetrafluoropropoxy)pyridine-4-carboxylate
SMILESCOC(=O)c1ccnc(OCC(F)(F)C(F)F)c1
InChIInChI=1S/C10H9F4NO3/c1-17-8(16)6-2-3-15-7(4-6)18-5-10(13,14)9(11)12/h2-4,9H,5H2,1H3
InChIKeyBIMAQCMVUBTHLW-UHFFFAOYSA-N
MW267.18 g/mol
LogP2.15
Rot. Bonds5

About methyl 2-(2,2,3,3-tetrafluoropropoxy)pyridine-4-carboxylate

methyl 2-(2,2,3,3-tetrafluoropropoxy)pyridine-4-carboxylate (PubChem CID 114074883) has the molecular formula C10H9F4NO3 and a molecular weight of 267.18 g/mol. Its IUPAC name is methyl 2-(2,2,3,3-tetrafluoropropoxy)pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-(2,2,3,3-tetrafluoropropoxy)pyridine-4-carboxylate
PubChem CID114074883
Molecular FormulaC10H9F4NO3
Molecular Weight267.18 g/mol
Exact Mass267.05
IUPAC Namemethyl 2-(2,2,3,3-tetrafluoropropoxy)pyridine-4-carboxylate
SMILESCOC(=O)c1ccnc(OCC(F)(F)C(F)F)c1
InChIInChI=1S/C10H9F4NO3/c1-17-8(16)6-2-3-15-7(4-6)18-5-10(13,14)9(11)12/h2-4,9H,5H2,1H3
InChIKeyBIMAQCMVUBTHLW-UHFFFAOYSA-N
XLogP2.15
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.18
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(2,2,3,3-tetrafluoropropoxy)pyridine-4-carboxylate?
The IUPAC name of methyl 2-(2,2,3,3-tetrafluoropropoxy)pyridine-4-carboxylate (CID 114074883) is methyl 2-(2,2,3,3-tetrafluoropropoxy)pyridine-4-carboxylate.
What is the SMILES notation for methyl 2-(2,2,3,3-tetrafluoropropoxy)pyridine-4-carboxylate?
The canonical SMILES for methyl 2-(2,2,3,3-tetrafluoropropoxy)pyridine-4-carboxylate is COC(=O)c1ccnc(OCC(F)(F)C(F)F)c1.
What is the InChIKey of methyl 2-(2,2,3,3-tetrafluoropropoxy)pyridine-4-carboxylate?
The InChIKey is BIMAQCMVUBTHLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F4NO3/c1-17-8(16)6-2-3-15-7(4-6)18-5-10(13,14)9(11)12/h2-4,9H,5H2,1H3.
What are the key properties of methyl 2-(2,2,3,3-tetrafluoropropoxy)pyridine-4-carboxylate?
methyl 2-(2,2,3,3-tetrafluoropropoxy)pyridine-4-carboxylate has a molecular weight of 267.18 g/mol, XLogP of 2.15, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2,2,3,3-tetrafluoropropoxy)pyridine-4-carboxylate is sourced from PubChem (CID 114074883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).