methyl 5-fluoro-3-methyl-2-(trifluoromethyl)pyridine-4-carboxylate

C9H7F4NO2 — CID 169249087

IUPACmethyl 5-fluoro-3-methyl-2-(trifluoromethyl)pyridine-4-carboxylate
SMILESCOC(=O)c1c(F)cnc(C(F)(F)F)c1C
InChIInChI=1S/C9H7F4NO2/c1-4-6(8(15)16-2)5(10)3-14-7(4)9(11,12)13/h3H,1-2H3
InChIKeyHUKVDKDUMYRMEM-UHFFFAOYSA-N
MW237.15 g/mol
LogP2.33
Rot. Bonds1

About methyl 5-fluoro-3-methyl-2-(trifluoromethyl)pyridine-4-carboxylate

methyl 5-fluoro-3-methyl-2-(trifluoromethyl)pyridine-4-carboxylate (PubChem CID 169249087) has the molecular formula C9H7F4NO2 and a molecular weight of 237.15 g/mol. Its IUPAC name is methyl 5-fluoro-3-methyl-2-(trifluoromethyl)pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-fluoro-3-methyl-2-(trifluoromethyl)pyridine-4-carboxylate
PubChem CID169249087
Molecular FormulaC9H7F4NO2
Molecular Weight237.15 g/mol
Exact Mass237.04
IUPAC Namemethyl 5-fluoro-3-methyl-2-(trifluoromethyl)pyridine-4-carboxylate
SMILESCOC(=O)c1c(F)cnc(C(F)(F)F)c1C
InChIInChI=1S/C9H7F4NO2/c1-4-6(8(15)16-2)5(10)3-14-7(4)9(11,12)13/h3H,1-2H3
InChIKeyHUKVDKDUMYRMEM-UHFFFAOYSA-N
XLogP2.33
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.15
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(difluoromethyl)-5-fluoro-3-methylpyridine-4-carboxylate
CID 133105275
methyl 5-hydroxy-4-(trifluoromethoxy)-2-(trifluoromethyl)pyridine-3-carboxylate
CID 134680560
methyl 2,6-difluoro-3-methyl-4-(trifluoromethyl)benzoate
CID 154645474
methyl 4-(difluoromethyl)-5-fluoro-6-(trifluoromethyl)pyridine-3-carboxylate
CID 133103913
methyl 4-amino-2-(trifluoromethyl)pyridine-3-carboxylate
CID 59553883
methyl 5-(chloromethyl)-4-(trifluoromethoxy)-2-(trifluoromethyl)pyridine-3-carboxylate
CID 134669027
methyl 6-fluoro-3-hydroxy-2-methylbenzoate
CID 131370787
methyl 2-(difluoromethyl)-5-fluoro-3-methoxypyridine-4-carboxylate
CID 133105622
methyl 2-iodo-4-methyl-5-(trifluoromethoxy)pyridine-3-carboxylate
CID 134679080
methyl 3-bromo-2-(3,4-difluoro-2-methylphenoxy)-5-(trifluoromethyl)pyridine-4-carboxylate
CID 169249301
methyl 4-(chloromethyl)-5-fluoro-2-(trifluoromethoxy)pyridine-3-carboxylate
CID 134659635
methyl 5-methoxy-4-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-3-carboxylate
CID 134668443

Frequently Asked Questions

What is the IUPAC name of methyl 5-fluoro-3-methyl-2-(trifluoromethyl)pyridine-4-carboxylate?
The IUPAC name of methyl 5-fluoro-3-methyl-2-(trifluoromethyl)pyridine-4-carboxylate (CID 169249087) is methyl 5-fluoro-3-methyl-2-(trifluoromethyl)pyridine-4-carboxylate.
What is the SMILES notation for methyl 5-fluoro-3-methyl-2-(trifluoromethyl)pyridine-4-carboxylate?
The canonical SMILES for methyl 5-fluoro-3-methyl-2-(trifluoromethyl)pyridine-4-carboxylate is COC(=O)c1c(F)cnc(C(F)(F)F)c1C.
What is the InChIKey of methyl 5-fluoro-3-methyl-2-(trifluoromethyl)pyridine-4-carboxylate?
The InChIKey is HUKVDKDUMYRMEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F4NO2/c1-4-6(8(15)16-2)5(10)3-14-7(4)9(11,12)13/h3H,1-2H3.
What are the key properties of methyl 5-fluoro-3-methyl-2-(trifluoromethyl)pyridine-4-carboxylate?
methyl 5-fluoro-3-methyl-2-(trifluoromethyl)pyridine-4-carboxylate has a molecular weight of 237.15 g/mol, XLogP of 2.33, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-fluoro-3-methyl-2-(trifluoromethyl)pyridine-4-carboxylate is sourced from PubChem (CID 169249087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).