methyl 1-methoxy-5-(trifluoromethyl)-2H-pyridine-2-carboxylate

C9H10F3NO3 — CID 150603743

IUPACmethyl 1-methoxy-5-(trifluoromethyl)-2H-pyridine-2-carboxylate
SMILESCOC(=O)C1C=CC(C(F)(F)F)=CN1OC
InChIInChI=1S/C9H10F3NO3/c1-15-8(14)7-4-3-6(9(10,11)12)5-13(7)16-2/h3-5,7H,1-2H3
InChIKeyISKZAIXAZVSMEZ-UHFFFAOYSA-N
MW237.18 g/mol
LogP1.41
Rot. Bonds2

About methyl 1-methoxy-5-(trifluoromethyl)-2H-pyridine-2-carboxylate

methyl 1-methoxy-5-(trifluoromethyl)-2H-pyridine-2-carboxylate (PubChem CID 150603743) has the molecular formula C9H10F3NO3 and a molecular weight of 237.18 g/mol. Its IUPAC name is methyl 1-methoxy-5-(trifluoromethyl)-2H-pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-methoxy-5-(trifluoromethyl)-2H-pyridine-2-carboxylate
PubChem CID150603743
Molecular FormulaC9H10F3NO3
Molecular Weight237.18 g/mol
Exact Mass237.06
IUPAC Namemethyl 1-methoxy-5-(trifluoromethyl)-2H-pyridine-2-carboxylate
SMILESCOC(=O)C1C=CC(C(F)(F)F)=CN1OC
InChIInChI=1S/C9H10F3NO3/c1-15-8(14)7-4-3-6(9(10,11)12)5-13(7)16-2/h3-5,7H,1-2H3
InChIKeyISKZAIXAZVSMEZ-UHFFFAOYSA-N
XLogP1.41
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.18
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 1-methoxy-5-(trifluoromethyl)-2H-pyridine-2-carboxylate?
The IUPAC name of methyl 1-methoxy-5-(trifluoromethyl)-2H-pyridine-2-carboxylate (CID 150603743) is methyl 1-methoxy-5-(trifluoromethyl)-2H-pyridine-2-carboxylate.
What is the SMILES notation for methyl 1-methoxy-5-(trifluoromethyl)-2H-pyridine-2-carboxylate?
The canonical SMILES for methyl 1-methoxy-5-(trifluoromethyl)-2H-pyridine-2-carboxylate is COC(=O)C1C=CC(C(F)(F)F)=CN1OC.
What is the InChIKey of methyl 1-methoxy-5-(trifluoromethyl)-2H-pyridine-2-carboxylate?
The InChIKey is ISKZAIXAZVSMEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NO3/c1-15-8(14)7-4-3-6(9(10,11)12)5-13(7)16-2/h3-5,7H,1-2H3.
What are the key properties of methyl 1-methoxy-5-(trifluoromethyl)-2H-pyridine-2-carboxylate?
methyl 1-methoxy-5-(trifluoromethyl)-2H-pyridine-2-carboxylate has a molecular weight of 237.18 g/mol, XLogP of 1.41, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-methoxy-5-(trifluoromethyl)-2H-pyridine-2-carboxylate is sourced from PubChem (CID 150603743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).