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

C9H8F3NO2 — CID 135392315

IUPACmethyl 5-methyl-3-(trifluoromethyl)pyridine-2-carboxylate
SMILESCOC(=O)c1ncc(C)cc1C(F)(F)F
InChIInChI=1S/C9H8F3NO2/c1-5-3-6(9(10,11)12)7(13-4-5)8(14)15-2/h3-4H,1-2H3
InChIKeyJSAOGLSZHPWDQQ-UHFFFAOYSA-N
MW219.16 g/mol
LogP2.20
Rot. Bonds1

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

methyl 5-methyl-3-(trifluoromethyl)pyridine-2-carboxylate (PubChem CID 135392315) has the molecular formula C9H8F3NO2 and a molecular weight of 219.16 g/mol. Its IUPAC name is methyl 5-methyl-3-(trifluoromethyl)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-methyl-3-(trifluoromethyl)pyridine-2-carboxylate
PubChem CID135392315
Molecular FormulaC9H8F3NO2
Molecular Weight219.16 g/mol
Exact Mass219.05
IUPAC Namemethyl 5-methyl-3-(trifluoromethyl)pyridine-2-carboxylate
SMILESCOC(=O)c1ncc(C)cc1C(F)(F)F
InChIInChI=1S/C9H8F3NO2/c1-5-3-6(9(10,11)12)7(13-4-5)8(14)15-2/h3-4H,1-2H3
InChIKeyJSAOGLSZHPWDQQ-UHFFFAOYSA-N
XLogP2.20
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.16
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 5-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)pyridine-2-carboxylate
CID 134635369
methyl 3-methoxy-5-(trifluoromethyl)pyridine-2-carboxylate
CID 121231628
methyl 3-bromo-5-(trifluoromethyl)pyridine-2-carboxylate
CID 46311089
methyl 4-(difluoromethyl)-3-fluoro-5-(trifluoromethyl)pyridine-2-carboxylate
CID 133103914
methyl 4-amino-3-(difluoromethyl)-5-(trifluoromethyl)pyridine-2-carboxylate
CID 134685827
methyl 5-chloro-3-[2-(trifluoromethyl)phenyl]pyridine-2-carboxylate
CID 134635499
methyl 4-amino-3-(2,2-dimethylpropanoyl)-5-(trifluoromethyl)pyridine-2-carboxylate
CID 174884606
N'-[amino(methyl)amino]-5-methyl-3-(trifluoromethyl)pyridine-2-carboximidamide
CID 156887115
methyl 4-(aminomethyl)-3-(difluoromethyl)-5-(trifluoromethyl)pyridine-2-carboxylate
CID 133084575
methyl 3-cyclopropyl-5-(trifluoromethyl)pyridine-2-carboxylate
CID 131847259
methyl 6-bromo-5-(difluoromethyl)-3-(trifluoromethyl)pyridine-2-carboxylate
CID 134676245
methyl 5-nitro-4-(trifluoromethyl)pyridine-2-carboxylate
CID 133097202

Frequently Asked Questions

What is the IUPAC name of methyl 5-methyl-3-(trifluoromethyl)pyridine-2-carboxylate?
The IUPAC name of methyl 5-methyl-3-(trifluoromethyl)pyridine-2-carboxylate (CID 135392315) is methyl 5-methyl-3-(trifluoromethyl)pyridine-2-carboxylate.
What is the SMILES notation for methyl 5-methyl-3-(trifluoromethyl)pyridine-2-carboxylate?
The canonical SMILES for methyl 5-methyl-3-(trifluoromethyl)pyridine-2-carboxylate is COC(=O)c1ncc(C)cc1C(F)(F)F.
What is the InChIKey of methyl 5-methyl-3-(trifluoromethyl)pyridine-2-carboxylate?
The InChIKey is JSAOGLSZHPWDQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3NO2/c1-5-3-6(9(10,11)12)7(13-4-5)8(14)15-2/h3-4H,1-2H3.
What are the key properties of methyl 5-methyl-3-(trifluoromethyl)pyridine-2-carboxylate?
methyl 5-methyl-3-(trifluoromethyl)pyridine-2-carboxylate has a molecular weight of 219.16 g/mol, XLogP of 2.20, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-methyl-3-(trifluoromethyl)pyridine-2-carboxylate is sourced from PubChem (CID 135392315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).