methyl 2-(difluoromethyl)-3-methoxy-5-(trifluoromethyl)pyridine-4-carboxylate

C10H8F5NO3 — CID 133098888

IUPACmethyl 2-(difluoromethyl)-3-methoxy-5-(trifluoromethyl)pyridine-4-carboxylate
SMILESCOC(=O)c1c(C(F)(F)F)cnc(C(F)F)c1OC
InChIInChI=1S/C10H8F5NO3/c1-18-7-5(9(17)19-2)4(10(13,14)15)3-16-6(7)8(11)12/h3,8H,1-2H3
InChIKeyPGYDGJWSILOGDL-UHFFFAOYSA-N
MW285.17 g/mol
LogP2.83
Rot. Bonds3

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

methyl 2-(difluoromethyl)-3-methoxy-5-(trifluoromethyl)pyridine-4-carboxylate (PubChem CID 133098888) has the molecular formula C10H8F5NO3 and a molecular weight of 285.17 g/mol. Its IUPAC name is methyl 2-(difluoromethyl)-3-methoxy-5-(trifluoromethyl)pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-(difluoromethyl)-3-methoxy-5-(trifluoromethyl)pyridine-4-carboxylate
PubChem CID133098888
Molecular FormulaC10H8F5NO3
Molecular Weight285.17 g/mol
Exact Mass285.04
IUPAC Namemethyl 2-(difluoromethyl)-3-methoxy-5-(trifluoromethyl)pyridine-4-carboxylate
SMILESCOC(=O)c1c(C(F)(F)F)cnc(C(F)F)c1OC
InChIInChI=1S/C10H8F5NO3/c1-18-7-5(9(17)19-2)4(10(13,14)15)3-16-6(7)8(11)12/h3,8H,1-2H3
InChIKeyPGYDGJWSILOGDL-UHFFFAOYSA-N
XLogP2.83
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.17
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(difluoromethyl)-5-fluoro-3-methoxypyridine-4-carboxylate
CID 133105622
2-(difluoromethyl)-4-methoxy-5-(trifluoromethyl)pyridine-3-carboxylic acid
CID 118826032
methyl 2-bromo-3-(difluoromethyl)-5-(trifluoromethyl)pyridine-4-carboxylate
CID 134671936
methyl 6-(difluoromethyl)-5-methoxy-4-(trifluoromethyl)pyridine-2-carboxylate
CID 133099003
2-(difluoromethyl)-4-methoxy-5-(trifluoromethyl)pyridin-3-ol
CID 130083326
methyl 2-(difluoromethyl)-5-hydroxy-3-(trifluoromethoxy)pyridine-4-carboxylate
CID 134660809
2-(difluoromethyl)-4-methoxy-3-(trifluoromethoxy)-5-(trifluoromethyl)pyridine
CID 134668342
ethyl 3-amino-2-(difluoromethyl)-5-(trifluoromethyl)pyridine-4-carboxylate
CID 134673697
methyl 5-cyano-2-(difluoromethyl)-3-(trifluoromethyl)pyridine-4-carboxylate
CID 133106647
6-(difluoromethyl)-5-methoxy-4-(trifluoromethyl)pyridine-3-carbaldehyde
CID 118814688
ethyl 3-(aminomethyl)-2-(difluoromethyl)-5-(trifluoromethyl)pyridine-4-carboxylate
CID 133084611
methyl 4-methoxy-2,6-bis(trifluoromethyl)benzoate
CID 15370697

Frequently Asked Questions

What is the IUPAC name of methyl 2-(difluoromethyl)-3-methoxy-5-(trifluoromethyl)pyridine-4-carboxylate?
The IUPAC name of methyl 2-(difluoromethyl)-3-methoxy-5-(trifluoromethyl)pyridine-4-carboxylate (CID 133098888) is methyl 2-(difluoromethyl)-3-methoxy-5-(trifluoromethyl)pyridine-4-carboxylate.
What is the SMILES notation for methyl 2-(difluoromethyl)-3-methoxy-5-(trifluoromethyl)pyridine-4-carboxylate?
The canonical SMILES for methyl 2-(difluoromethyl)-3-methoxy-5-(trifluoromethyl)pyridine-4-carboxylate is COC(=O)c1c(C(F)(F)F)cnc(C(F)F)c1OC.
What is the InChIKey of methyl 2-(difluoromethyl)-3-methoxy-5-(trifluoromethyl)pyridine-4-carboxylate?
The InChIKey is PGYDGJWSILOGDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F5NO3/c1-18-7-5(9(17)19-2)4(10(13,14)15)3-16-6(7)8(11)12/h3,8H,1-2H3.
What are the key properties of methyl 2-(difluoromethyl)-3-methoxy-5-(trifluoromethyl)pyridine-4-carboxylate?
methyl 2-(difluoromethyl)-3-methoxy-5-(trifluoromethyl)pyridine-4-carboxylate has a molecular weight of 285.17 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(difluoromethyl)-3-methoxy-5-(trifluoromethyl)pyridine-4-carboxylate is sourced from PubChem (CID 133098888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).