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

C10H8F5NO3 — CID 133099603

IUPACmethyl 5-(difluoromethyl)-6-methoxy-3-(trifluoromethyl)pyridine-2-carboxylate
SMILESCOC(=O)c1nc(OC)c(C(F)F)cc1C(F)(F)F
InChIInChI=1S/C10H8F5NO3/c1-18-8-4(7(11)12)3-5(10(13,14)15)6(16-8)9(17)19-2/h3,7H,1-2H3
InChIKeyZRHTWTGXUZSRBH-UHFFFAOYSA-N
MW285.17 g/mol
LogP2.83
Rot. Bonds3

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

methyl 5-(difluoromethyl)-6-methoxy-3-(trifluoromethyl)pyridine-2-carboxylate (PubChem CID 133099603) has the molecular formula C10H8F5NO3 and a molecular weight of 285.17 g/mol. Its IUPAC name is methyl 5-(difluoromethyl)-6-methoxy-3-(trifluoromethyl)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-(difluoromethyl)-6-methoxy-3-(trifluoromethyl)pyridine-2-carboxylate
PubChem CID133099603
Molecular FormulaC10H8F5NO3
Molecular Weight285.17 g/mol
Exact Mass285.04
IUPAC Namemethyl 5-(difluoromethyl)-6-methoxy-3-(trifluoromethyl)pyridine-2-carboxylate
SMILESCOC(=O)c1nc(OC)c(C(F)F)cc1C(F)(F)F
InChIInChI=1S/C10H8F5NO3/c1-18-8-4(7(11)12)3-5(10(13,14)15)6(16-8)9(17)19-2/h3,7H,1-2H3
InChIKeyZRHTWTGXUZSRBH-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 6-bromo-5-(difluoromethyl)-3-(trifluoromethyl)pyridine-2-carboxylate
CID 134676245
[5-(difluoromethyl)-6-methoxy-3-(trifluoromethyl)-2-pyridinyl]methanol
CID 133099748
methyl 3-(difluoromethyl)-6-methoxy-5-(trifluoromethoxy)pyridine-2-carboxylate
CID 134677228
2-chloro-5-(difluoromethyl)-6-methoxy-3-(trifluoromethyl)pyridine
CID 119010463
methyl 5-chloro-3-(difluoromethyl)-6-(trifluoromethyl)pyridine-2-carboxylate
CID 134674308
3-(difluoromethyl)-2-fluoro-6-methoxy-5-(trifluoromethyl)pyridine
CID 133105630
methyl 3-amino-6-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-carboxylate
CID 134684128
methyl 3-amino-4-(difluoromethyl)-6-(trifluoromethyl)pyridine-2-carboxylate
CID 134685825
methyl 4-(difluoromethyl)-5,6-dimethoxypyridine-2-carboxylate
CID 134669232
methyl 6-propan-2-yl-3-(trifluoromethyl)pyridine-2-carboxylate
CID 166584183
methyl 6-(difluoromethyl)-5-methoxy-4-(trifluoromethyl)pyridine-2-carboxylate
CID 133099003
methyl 2-chloro-5-(difluoromethyl)-6-(trifluoromethyl)pyridine-3-carboxylate
CID 134678273

Frequently Asked Questions

What is the IUPAC name of methyl 5-(difluoromethyl)-6-methoxy-3-(trifluoromethyl)pyridine-2-carboxylate?
The IUPAC name of methyl 5-(difluoromethyl)-6-methoxy-3-(trifluoromethyl)pyridine-2-carboxylate (CID 133099603) is methyl 5-(difluoromethyl)-6-methoxy-3-(trifluoromethyl)pyridine-2-carboxylate.
What is the SMILES notation for methyl 5-(difluoromethyl)-6-methoxy-3-(trifluoromethyl)pyridine-2-carboxylate?
The canonical SMILES for methyl 5-(difluoromethyl)-6-methoxy-3-(trifluoromethyl)pyridine-2-carboxylate is COC(=O)c1nc(OC)c(C(F)F)cc1C(F)(F)F.
What is the InChIKey of methyl 5-(difluoromethyl)-6-methoxy-3-(trifluoromethyl)pyridine-2-carboxylate?
The InChIKey is ZRHTWTGXUZSRBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F5NO3/c1-18-8-4(7(11)12)3-5(10(13,14)15)6(16-8)9(17)19-2/h3,7H,1-2H3.
What are the key properties of methyl 5-(difluoromethyl)-6-methoxy-3-(trifluoromethyl)pyridine-2-carboxylate?
methyl 5-(difluoromethyl)-6-methoxy-3-(trifluoromethyl)pyridine-2-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 5-(difluoromethyl)-6-methoxy-3-(trifluoromethyl)pyridine-2-carboxylate is sourced from PubChem (CID 133099603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).