methyl 3-hydroxy-4-methyl-5-(trifluoromethoxy)pyridine-2-carboxylate

C9H8F3NO4 — CID 134679830

IUPACmethyl 3-hydroxy-4-methyl-5-(trifluoromethoxy)pyridine-2-carboxylate
SMILESCOC(=O)c1ncc(OC(F)(F)F)c(C)c1O
InChIInChI=1S/C9H8F3NO4/c1-4-5(17-9(10,11)12)3-13-6(7(4)14)8(15)16-2/h3,14H,1-2H3
InChIKeyGRGQUVNSXIYMSX-UHFFFAOYSA-N
MW251.16 g/mol
LogP1.78
Rot. Bonds2

About methyl 3-hydroxy-4-methyl-5-(trifluoromethoxy)pyridine-2-carboxylate

methyl 3-hydroxy-4-methyl-5-(trifluoromethoxy)pyridine-2-carboxylate (PubChem CID 134679830) has the molecular formula C9H8F3NO4 and a molecular weight of 251.16 g/mol. Its IUPAC name is methyl 3-hydroxy-4-methyl-5-(trifluoromethoxy)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-hydroxy-4-methyl-5-(trifluoromethoxy)pyridine-2-carboxylate
PubChem CID134679830
Molecular FormulaC9H8F3NO4
Molecular Weight251.16 g/mol
Exact Mass251.04
IUPAC Namemethyl 3-hydroxy-4-methyl-5-(trifluoromethoxy)pyridine-2-carboxylate
SMILESCOC(=O)c1ncc(OC(F)(F)F)c(C)c1O
InChIInChI=1S/C9H8F3NO4/c1-4-5(17-9(10,11)12)3-13-6(7(4)14)8(15)16-2/h3,14H,1-2H3
InChIKeyGRGQUVNSXIYMSX-UHFFFAOYSA-N
XLogP1.78
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.16
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-fluoro-5-(trifluoromethoxy)-4-(trifluoromethyl)pyridine-2-carboxylate
CID 134663820
methyl 2-iodo-4-methyl-5-(trifluoromethoxy)pyridine-3-carboxylate
CID 134679080
methyl 4-(fluoromethyl)-3-methoxy-5-(trifluoromethoxy)pyridine-2-carboxylate
CID 134677024
ethyl 3-hydroxy-4-nitro-5-(trifluoromethoxy)pyridine-2-carboxylate
CID 134680855
ethyl 3-hydroxy-5-methoxy-4-(trifluoromethoxy)pyridine-2-carboxylate
CID 134666742
methyl 4-(bromomethyl)-3-iodo-5-(trifluoromethoxy)pyridine-2-carboxylate
CID 134681050
methyl 2-chloro-5-(trifluoromethoxy)pyridine-4-carboxylate
CID 133054057
methyl 3-iodo-2-methyl-5-(trifluoromethoxy)pyridine-4-carboxylate
CID 134666957
methyl 6-methoxy-3-methyl-4-(trifluoromethoxy)pyridine-2-carboxylate
CID 134666359
methyl 3-(fluoromethyl)-5-methoxy-4-(trifluoromethoxy)pyridine-2-carboxylate
CID 134665380
methyl 5-(aminomethyl)-4-methyl-3-(trifluoromethoxy)pyridine-2-carboxylate
CID 133085417
methyl 4-(difluoromethyl)-3-hydroxy-5-methoxypyridine-2-carboxylate
CID 133103469

Frequently Asked Questions

What is the IUPAC name of methyl 3-hydroxy-4-methyl-5-(trifluoromethoxy)pyridine-2-carboxylate?
The IUPAC name of methyl 3-hydroxy-4-methyl-5-(trifluoromethoxy)pyridine-2-carboxylate (CID 134679830) is methyl 3-hydroxy-4-methyl-5-(trifluoromethoxy)pyridine-2-carboxylate.
What is the SMILES notation for methyl 3-hydroxy-4-methyl-5-(trifluoromethoxy)pyridine-2-carboxylate?
The canonical SMILES for methyl 3-hydroxy-4-methyl-5-(trifluoromethoxy)pyridine-2-carboxylate is COC(=O)c1ncc(OC(F)(F)F)c(C)c1O.
What is the InChIKey of methyl 3-hydroxy-4-methyl-5-(trifluoromethoxy)pyridine-2-carboxylate?
The InChIKey is GRGQUVNSXIYMSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3NO4/c1-4-5(17-9(10,11)12)3-13-6(7(4)14)8(15)16-2/h3,14H,1-2H3.
What are the key properties of methyl 3-hydroxy-4-methyl-5-(trifluoromethoxy)pyridine-2-carboxylate?
methyl 3-hydroxy-4-methyl-5-(trifluoromethoxy)pyridine-2-carboxylate has a molecular weight of 251.16 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-hydroxy-4-methyl-5-(trifluoromethoxy)pyridine-2-carboxylate is sourced from PubChem (CID 134679830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).