methyl 3-methoxy-5-(trifluoromethyl)pyridine-2-carboxylate

C9H8F3NO3 — CID 121231628

IUPACmethyl 3-methoxy-5-(trifluoromethyl)pyridine-2-carboxylate
SMILESCOC(=O)c1ncc(C(F)(F)F)cc1OC
InChIInChI=1S/C9H8F3NO3/c1-15-6-3-5(9(10,11)12)4-13-7(6)8(14)16-2/h3-4H,1-2H3
InChIKeyCYSJIRROPZBHID-UHFFFAOYSA-N
MW235.16 g/mol
LogP1.90
Rot. Bonds2

About methyl 3-methoxy-5-(trifluoromethyl)pyridine-2-carboxylate

methyl 3-methoxy-5-(trifluoromethyl)pyridine-2-carboxylate (PubChem CID 121231628) has the molecular formula C9H8F3NO3 and a molecular weight of 235.16 g/mol. Its IUPAC name is methyl 3-methoxy-5-(trifluoromethyl)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-methoxy-5-(trifluoromethyl)pyridine-2-carboxylate
PubChem CID121231628
Molecular FormulaC9H8F3NO3
Molecular Weight235.16 g/mol
Exact Mass235.05
IUPAC Namemethyl 3-methoxy-5-(trifluoromethyl)pyridine-2-carboxylate
SMILESCOC(=O)c1ncc(C(F)(F)F)cc1OC
InChIInChI=1S/C9H8F3NO3/c1-15-6-3-5(9(10,11)12)4-13-7(6)8(14)16-2/h3-4H,1-2H3
InChIKeyCYSJIRROPZBHID-UHFFFAOYSA-N
XLogP1.90
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.16
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-bromo-5-(trifluoromethyl)pyridine-2-carboxylate
CID 46311089
methyl 3-cyclopropyl-5-(trifluoromethyl)pyridine-2-carboxylate
CID 131847259
methyl 2-fluoro-5-(trifluoromethyl)pyridine-3-carboxylate
CID 118704463
methyl 2-methoxy-4-(trifluoromethyl)benzoate
CID 24728010
ethane;methyl 2-amino-5-(trifluoromethyl)pyridine-3-carboxylate
CID 156850074
3-[2-methoxy-4-(trifluoromethoxy)phenoxy]-5-(trifluoromethyl)pyridine-2-carbonyl chloride
CID 137406655
methyl 5-methyl-3-(trifluoromethyl)pyridine-2-carboxylate
CID 135392315
3-methoxy-5-methoxycarbonylpyridine-2-carboxylic acid
CID 22923874
methyl 4-(difluoromethyl)-3-hydroxy-5-methoxypyridine-2-carboxylate
CID 133103469
3-[2-methoxy-4-(trifluoromethoxy)phenoxy]-5-(trifluoromethyl)pyridine-2-carbonyl chloride;3-[2-methoxy-4-(trifluoromethoxy)phenoxy]-5-(trifluoromethyl)pyridine-2-carboxylic acid
CID 162050583
1-[2-methoxy-5-(trifluoromethyl)-3-pyridinyl]ethanone
CID 53423580
methyl 2-(4-methoxy-N-methylanilino)-5-(trifluoromethyl)pyridine-3-carboxylate
CID 122505030

Frequently Asked Questions

What is the IUPAC name of methyl 3-methoxy-5-(trifluoromethyl)pyridine-2-carboxylate?
The IUPAC name of methyl 3-methoxy-5-(trifluoromethyl)pyridine-2-carboxylate (CID 121231628) is methyl 3-methoxy-5-(trifluoromethyl)pyridine-2-carboxylate.
What is the SMILES notation for methyl 3-methoxy-5-(trifluoromethyl)pyridine-2-carboxylate?
The canonical SMILES for methyl 3-methoxy-5-(trifluoromethyl)pyridine-2-carboxylate is COC(=O)c1ncc(C(F)(F)F)cc1OC.
What is the InChIKey of methyl 3-methoxy-5-(trifluoromethyl)pyridine-2-carboxylate?
The InChIKey is CYSJIRROPZBHID-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3NO3/c1-15-6-3-5(9(10,11)12)4-13-7(6)8(14)16-2/h3-4H,1-2H3.
What are the key properties of methyl 3-methoxy-5-(trifluoromethyl)pyridine-2-carboxylate?
methyl 3-methoxy-5-(trifluoromethyl)pyridine-2-carboxylate has a molecular weight of 235.16 g/mol, XLogP of 1.90, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methoxy-5-(trifluoromethyl)pyridine-2-carboxylate is sourced from PubChem (CID 121231628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).