methyl 3-(difluoromethyl)-6-methoxy-5-(trifluoromethoxy)pyridine-2-carboxylate

C10H8F5NO4 — CID 134677228

IUPACmethyl 3-(difluoromethyl)-6-methoxy-5-(trifluoromethoxy)pyridine-2-carboxylate
SMILESCOC(=O)c1nc(OC)c(OC(F)(F)F)cc1C(F)F
InChIInChI=1S/C10H8F5NO4/c1-18-8-5(20-10(13,14)15)3-4(7(11)12)6(16-8)9(17)19-2/h3,7H,1-2H3
InChIKeyHGKLKFRUDNPUCE-UHFFFAOYSA-N
MW301.17 g/mol
LogP2.71
Rot. Bonds4

About methyl 3-(difluoromethyl)-6-methoxy-5-(trifluoromethoxy)pyridine-2-carboxylate

methyl 3-(difluoromethyl)-6-methoxy-5-(trifluoromethoxy)pyridine-2-carboxylate (PubChem CID 134677228) has the molecular formula C10H8F5NO4 and a molecular weight of 301.17 g/mol. Its IUPAC name is methyl 3-(difluoromethyl)-6-methoxy-5-(trifluoromethoxy)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-(difluoromethyl)-6-methoxy-5-(trifluoromethoxy)pyridine-2-carboxylate
PubChem CID134677228
Molecular FormulaC10H8F5NO4
Molecular Weight301.17 g/mol
Exact Mass301.04
IUPAC Namemethyl 3-(difluoromethyl)-6-methoxy-5-(trifluoromethoxy)pyridine-2-carboxylate
SMILESCOC(=O)c1nc(OC)c(OC(F)(F)F)cc1C(F)F
InChIInChI=1S/C10H8F5NO4/c1-18-8-5(20-10(13,14)15)3-4(7(11)12)6(16-8)9(17)19-2/h3,7H,1-2H3
InChIKeyHGKLKFRUDNPUCE-UHFFFAOYSA-N
XLogP2.71
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.17
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-(aminomethyl)-6-methoxy-5-(trifluoromethoxy)pyridine-2-carboxylate
CID 134668833
methyl 5-(difluoromethyl)-6-nitro-3-(trifluoromethoxy)pyridine-2-carboxylate
CID 134682718
methyl 5-(difluoromethyl)-6-methoxy-3-(trifluoromethyl)pyridine-2-carboxylate
CID 133099603
methyl 2-[2-(difluoromethyl)-6-methoxy-5-(trifluoromethoxy)-3-pyridinyl]acetate
CID 134681746
5-(difluoromethyl)-2-iodo-6-methoxy-3-(trifluoromethoxy)pyridine
CID 134666852
methyl 5-chloro-3-(difluoromethyl)-6-(trifluoromethyl)pyridine-2-carboxylate
CID 134674308
methyl 6-methoxy-3-methyl-4-(trifluoromethoxy)pyridine-2-carboxylate
CID 134666359
methyl 2-[6-(difluoromethyl)-2-methoxy-5-(trifluoromethoxy)-3-pyridinyl]acetate
CID 134681738
methyl 3-(chloromethyl)-6-(difluoromethyl)-4-(trifluoromethoxy)pyridine-2-carboxylate
CID 134668204
3-(difluoromethyl)-2-iodo-5-methoxy-6-(trifluoromethoxy)pyridine
CID 134680703
methyl 6-amino-3-(difluoromethyl)-5-methylpyridine-2-carboxylate
CID 130106594
2-(difluoromethyl)-6-methoxy-5-(trifluoromethoxy)pyridine-3-carbaldehyde
CID 118815182

Frequently Asked Questions

What is the IUPAC name of methyl 3-(difluoromethyl)-6-methoxy-5-(trifluoromethoxy)pyridine-2-carboxylate?
The IUPAC name of methyl 3-(difluoromethyl)-6-methoxy-5-(trifluoromethoxy)pyridine-2-carboxylate (CID 134677228) is methyl 3-(difluoromethyl)-6-methoxy-5-(trifluoromethoxy)pyridine-2-carboxylate.
What is the SMILES notation for methyl 3-(difluoromethyl)-6-methoxy-5-(trifluoromethoxy)pyridine-2-carboxylate?
The canonical SMILES for methyl 3-(difluoromethyl)-6-methoxy-5-(trifluoromethoxy)pyridine-2-carboxylate is COC(=O)c1nc(OC)c(OC(F)(F)F)cc1C(F)F.
What is the InChIKey of methyl 3-(difluoromethyl)-6-methoxy-5-(trifluoromethoxy)pyridine-2-carboxylate?
The InChIKey is HGKLKFRUDNPUCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F5NO4/c1-18-8-5(20-10(13,14)15)3-4(7(11)12)6(16-8)9(17)19-2/h3,7H,1-2H3.
What are the key properties of methyl 3-(difluoromethyl)-6-methoxy-5-(trifluoromethoxy)pyridine-2-carboxylate?
methyl 3-(difluoromethyl)-6-methoxy-5-(trifluoromethoxy)pyridine-2-carboxylate has a molecular weight of 301.17 g/mol, XLogP of 2.71, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(difluoromethyl)-6-methoxy-5-(trifluoromethoxy)pyridine-2-carboxylate is sourced from PubChem (CID 134677228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).