methyl 3-(2,5-dimethylpyrrol-1-yl)-6-methoxy-5-(trifluoromethyl)pyridine-2-carboxylate

C15H15F3N2O3 — CID 67387130

IUPACmethyl 3-(2,5-dimethylpyrrol-1-yl)-6-methoxy-5-(trifluoromethyl)pyridine-2-carboxylate
SMILESCOC(=O)c1nc(OC)c(C(F)(F)F)cc1-n1c(C)ccc1C
InChIInChI=1S/C15H15F3N2O3/c1-8-5-6-9(2)20(8)11-7-10(15(16,17)18)13(22-3)19-12(11)14(21)23-4/h5-7H,1-4H3
InChIKeyMYOMLPUQTOUJJN-UHFFFAOYSA-N
MW328.29 g/mol
LogP3.30
Rot. Bonds3

About methyl 3-(2,5-dimethylpyrrol-1-yl)-6-methoxy-5-(trifluoromethyl)pyridine-2-carboxylate

methyl 3-(2,5-dimethylpyrrol-1-yl)-6-methoxy-5-(trifluoromethyl)pyridine-2-carboxylate (PubChem CID 67387130) has the molecular formula C15H15F3N2O3 and a molecular weight of 328.29 g/mol. Its IUPAC name is methyl 3-(2,5-dimethylpyrrol-1-yl)-6-methoxy-5-(trifluoromethyl)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-(2,5-dimethylpyrrol-1-yl)-6-methoxy-5-(trifluoromethyl)pyridine-2-carboxylate
PubChem CID67387130
Molecular FormulaC15H15F3N2O3
Molecular Weight328.29 g/mol
Exact Mass328.10
IUPAC Namemethyl 3-(2,5-dimethylpyrrol-1-yl)-6-methoxy-5-(trifluoromethyl)pyridine-2-carboxylate
SMILESCOC(=O)c1nc(OC)c(C(F)(F)F)cc1-n1c(C)ccc1C
InChIInChI=1S/C15H15F3N2O3/c1-8-5-6-9(2)20(8)11-7-10(15(16,17)18)13(22-3)19-12(11)14(21)23-4/h5-7H,1-4H3
InChIKeyMYOMLPUQTOUJJN-UHFFFAOYSA-N
XLogP3.30
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.29
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Methyl 3-amino-6-(furan-2-yl)-5-(trifluoromethyl)pyridine-2-carboxylate
CID 166633895
6-Methoxy-5-(trifluoromethyl)picolinic acid
CID 73554371
3-(2,5-Dimethyl-pyrrol-1-yl)-6-methoxy-5-trifluoromethyl-pyridine-2-carboxylic acid
CID 58442313
3-Amino-6-methoxy-5-trifluoromethyl-pyridine-2-carboxylic acid
CID 58442320
3-(2,5-Dimethyl-1H-pyrrol-1-yl)-6-ethoxy-5-(trifluoromethyl)picolinic acid
CID 58442329
6-Bromo-3-(2,5-dimethyl-pyrrol-1-yl)-5-trifluoromethyl-pyridine-2-carboxylic acid methyl ester
CID 58442369
Methyl 3-(2,5-dimethyl-1H-pyrrol-1-yl)-6-ethoxy-5-(trifluoromethyl)picolinate
CID 67383877
Ethyl 6-methoxy-5-(trifluoromethyl)pyridine-2-carboxylate
CID 67399178
Methyl 3-amino-6-methoxy-5-(trifluoromethyl)picolinate
CID 71743539
3-(2,5-Dimethyl-pyrrol-1-yl)-5,6-bis-trifluoromethyl-pyridine-2-carboxylic acid methyl ester
CID 86657669
Methyl 3-(tert-butoxycarbonylamino)-6-methoxy-5-(trifluoromethyl)picolinate
CID 86729606
methyl 3-(2,5-dimethylpyrrol-1-yl)-6-methoxy-5-(trifluoromethyl)pyridine-2-carboxylate;methyl 3-(2,5-dimethylpyrrol-1-yl)-6-oxo-5-(trifluoromethyl)-1H-pyridine-2-carboxylate
CID 87379619

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2,5-dimethylpyrrol-1-yl)-6-methoxy-5-(trifluoromethyl)pyridine-2-carboxylate?
The IUPAC name of methyl 3-(2,5-dimethylpyrrol-1-yl)-6-methoxy-5-(trifluoromethyl)pyridine-2-carboxylate (CID 67387130) is methyl 3-(2,5-dimethylpyrrol-1-yl)-6-methoxy-5-(trifluoromethyl)pyridine-2-carboxylate.
What is the SMILES notation for methyl 3-(2,5-dimethylpyrrol-1-yl)-6-methoxy-5-(trifluoromethyl)pyridine-2-carboxylate?
The canonical SMILES for methyl 3-(2,5-dimethylpyrrol-1-yl)-6-methoxy-5-(trifluoromethyl)pyridine-2-carboxylate is COC(=O)c1nc(OC)c(C(F)(F)F)cc1-n1c(C)ccc1C.
What is the InChIKey of methyl 3-(2,5-dimethylpyrrol-1-yl)-6-methoxy-5-(trifluoromethyl)pyridine-2-carboxylate?
The InChIKey is MYOMLPUQTOUJJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N2O3/c1-8-5-6-9(2)20(8)11-7-10(15(16,17)18)13(22-3)19-12(11)14(21)23-4/h5-7H,1-4H3.
What are the key properties of methyl 3-(2,5-dimethylpyrrol-1-yl)-6-methoxy-5-(trifluoromethyl)pyridine-2-carboxylate?
methyl 3-(2,5-dimethylpyrrol-1-yl)-6-methoxy-5-(trifluoromethyl)pyridine-2-carboxylate has a molecular weight of 328.29 g/mol, XLogP of 3.30, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2,5-dimethylpyrrol-1-yl)-6-methoxy-5-(trifluoromethyl)pyridine-2-carboxylate is sourced from PubChem (CID 67387130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).