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

C11H10F3NO2 — CID 131847259

IUPACmethyl 3-cyclopropyl-5-(trifluoromethyl)pyridine-2-carboxylate
SMILESCOC(=O)c1ncc(C(F)(F)F)cc1C1CC1
InChIInChI=1S/C11H10F3NO2/c1-17-10(16)9-8(6-2-3-6)4-7(5-15-9)11(12,13)14/h4-6H,2-3H2,1H3
InChIKeyGDGJNQBFXBPQDV-UHFFFAOYSA-N
MW245.20 g/mol
LogP2.76
Rot. Bonds2

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

methyl 3-cyclopropyl-5-(trifluoromethyl)pyridine-2-carboxylate (PubChem CID 131847259) has the molecular formula C11H10F3NO2 and a molecular weight of 245.20 g/mol. Its IUPAC name is methyl 3-cyclopropyl-5-(trifluoromethyl)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-cyclopropyl-5-(trifluoromethyl)pyridine-2-carboxylate
PubChem CID131847259
Molecular FormulaC11H10F3NO2
Molecular Weight245.20 g/mol
Exact Mass245.07
IUPAC Namemethyl 3-cyclopropyl-5-(trifluoromethyl)pyridine-2-carboxylate
SMILESCOC(=O)c1ncc(C(F)(F)F)cc1C1CC1
InChIInChI=1S/C11H10F3NO2/c1-17-10(16)9-8(6-2-3-6)4-7(5-15-9)11(12,13)14/h4-6H,2-3H2,1H3
InChIKeyGDGJNQBFXBPQDV-UHFFFAOYSA-N
XLogP2.76
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.20
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 3-cyclopropyl-5-(trifluoromethyl)pyridine-2-carboxylate?
The IUPAC name of methyl 3-cyclopropyl-5-(trifluoromethyl)pyridine-2-carboxylate (CID 131847259) is methyl 3-cyclopropyl-5-(trifluoromethyl)pyridine-2-carboxylate.
What is the SMILES notation for methyl 3-cyclopropyl-5-(trifluoromethyl)pyridine-2-carboxylate?
The canonical SMILES for methyl 3-cyclopropyl-5-(trifluoromethyl)pyridine-2-carboxylate is COC(=O)c1ncc(C(F)(F)F)cc1C1CC1.
What is the InChIKey of methyl 3-cyclopropyl-5-(trifluoromethyl)pyridine-2-carboxylate?
The InChIKey is GDGJNQBFXBPQDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3NO2/c1-17-10(16)9-8(6-2-3-6)4-7(5-15-9)11(12,13)14/h4-6H,2-3H2,1H3.
What are the key properties of methyl 3-cyclopropyl-5-(trifluoromethyl)pyridine-2-carboxylate?
methyl 3-cyclopropyl-5-(trifluoromethyl)pyridine-2-carboxylate has a molecular weight of 245.20 g/mol, XLogP of 2.76, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-cyclopropyl-5-(trifluoromethyl)pyridine-2-carboxylate is sourced from PubChem (CID 131847259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).