methyl 4-methyl-5-phenyl-6-(trifluoromethyl)pyridine-2-carboxylate

C15H12F3NO2 — CID 122402092

IUPACmethyl 4-methyl-5-phenyl-6-(trifluoromethyl)pyridine-2-carboxylate
SMILESCOC(=O)c1cc(C)c(-c2ccccc2)c(C(F)(F)F)n1
InChIInChI=1S/C15H12F3NO2/c1-9-8-11(14(20)21-2)19-13(15(16,17)18)12(9)10-6-4-3-5-7-10/h3-8H,1-2H3
InChIKeyXZSUISWEDXHKDS-UHFFFAOYSA-N
MW295.26 g/mol
LogP3.86
Rot. Bonds2

About methyl 4-methyl-5-phenyl-6-(trifluoromethyl)pyridine-2-carboxylate

methyl 4-methyl-5-phenyl-6-(trifluoromethyl)pyridine-2-carboxylate (PubChem CID 122402092) has the molecular formula C15H12F3NO2 and a molecular weight of 295.26 g/mol. Its IUPAC name is methyl 4-methyl-5-phenyl-6-(trifluoromethyl)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-methyl-5-phenyl-6-(trifluoromethyl)pyridine-2-carboxylate
PubChem CID122402092
Molecular FormulaC15H12F3NO2
Molecular Weight295.26 g/mol
Exact Mass295.08
IUPAC Namemethyl 4-methyl-5-phenyl-6-(trifluoromethyl)pyridine-2-carboxylate
SMILESCOC(=O)c1cc(C)c(-c2ccccc2)c(C(F)(F)F)n1
InChIInChI=1S/C15H12F3NO2/c1-9-8-11(14(20)21-2)19-13(15(16,17)18)12(9)10-6-4-3-5-7-10/h3-8H,1-2H3
InChIKeyXZSUISWEDXHKDS-UHFFFAOYSA-N
XLogP3.86
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.26
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Diethyl dipicolinate
CID 254510
Methyl 3-isoquinolinecarboxylate
CID 725374
Dibutyl pyridine-2,6-dicarboxylate
CID 96561
Dimethyl pyridine-2,6-carboxylate
CID 79549
Methyl 5-phenyl-1H-pyrrole-2-carboxylate
CID 11217902
Ethyl 3,4-dimethylquinoline-2-carboxylate;hydrochloride
CID 16196364
Methyl 6-[(4-methylphenyl)carbamoyl]pyridine-2-carboxylate
CID 3243117
4-Phenylpyridine-2,6-dicarboxylic acid
CID 12843432
4-(4-Methoxyphenyl)pyridine-2,6-dicarboxylic acid
CID 102499907
Methyl quinoline-2-carboxylate
CID 421738
Ethyl 6-acetylpyridine-2-carboxylate
CID 11586434
Methyl 6-methylpyridine-2-carboxylate
CID 73022

Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-5-phenyl-6-(trifluoromethyl)pyridine-2-carboxylate?
The IUPAC name of methyl 4-methyl-5-phenyl-6-(trifluoromethyl)pyridine-2-carboxylate (CID 122402092) is methyl 4-methyl-5-phenyl-6-(trifluoromethyl)pyridine-2-carboxylate.
What is the SMILES notation for methyl 4-methyl-5-phenyl-6-(trifluoromethyl)pyridine-2-carboxylate?
The canonical SMILES for methyl 4-methyl-5-phenyl-6-(trifluoromethyl)pyridine-2-carboxylate is COC(=O)c1cc(C)c(-c2ccccc2)c(C(F)(F)F)n1.
What is the InChIKey of methyl 4-methyl-5-phenyl-6-(trifluoromethyl)pyridine-2-carboxylate?
The InChIKey is XZSUISWEDXHKDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3NO2/c1-9-8-11(14(20)21-2)19-13(15(16,17)18)12(9)10-6-4-3-5-7-10/h3-8H,1-2H3.
What are the key properties of methyl 4-methyl-5-phenyl-6-(trifluoromethyl)pyridine-2-carboxylate?
methyl 4-methyl-5-phenyl-6-(trifluoromethyl)pyridine-2-carboxylate has a molecular weight of 295.26 g/mol, XLogP of 3.86, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-5-phenyl-6-(trifluoromethyl)pyridine-2-carboxylate is sourced from PubChem (CID 122402092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).