methyl 4-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylate

C14H10F3NO2 — CID 117222258

IUPACmethyl 4-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylate
SMILESCOC(=O)c1cc(-c2ccc(C(F)(F)F)cc2)ccn1
InChIInChI=1S/C14H10F3NO2/c1-20-13(19)12-8-10(6-7-18-12)9-2-4-11(5-3-9)14(15,16)17/h2-8H,1H3
InChIKeyVYUFKDFFCNNOMT-UHFFFAOYSA-N
MW281.23 g/mol
LogP3.55
Rot. Bonds2

About methyl 4-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylate

methyl 4-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylate (PubChem CID 117222258) has the molecular formula C14H10F3NO2 and a molecular weight of 281.23 g/mol. Its IUPAC name is methyl 4-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylate
PubChem CID117222258
Molecular FormulaC14H10F3NO2
Molecular Weight281.23 g/mol
Exact Mass281.07
IUPAC Namemethyl 4-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylate
SMILESCOC(=O)c1cc(-c2ccc(C(F)(F)F)cc2)ccn1
InChIInChI=1S/C14H10F3NO2/c1-20-13(19)12-8-10(6-7-18-12)9-2-4-11(5-3-9)14(15,16)17/h2-8H,1H3
InChIKeyVYUFKDFFCNNOMT-UHFFFAOYSA-N
XLogP3.55
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.23
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-pyridin-4-ylpyridine-2-carboxylate
CID 46317488
methyl 4-(4-fluorophenyl)pyridine-2-carboxylate
CID 54226711
methyl 4-(4-phenylphenyl)pyridine-2-carboxylate
CID 70853401
methyl 6-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxylate
CID 67072130
disodium;methyl 4-fluoropyridine-2-carboxylate;dichloride
CID 172849137
methyl 2-chloro-5-[4-(trifluoromethyl)phenyl]pyridine-3-carboxylate
CID 87395859
methyl 2,6-bis[4-(trifluoromethyl)phenyl]pyridine-4-carboxylate
CID 134634052
2,4-bis[4-(trifluoromethyl)phenyl]pyridine
CID 134617794
methyl 4-methylpyridine-2-carboxylate
CID 10920693
methyl 4-(3-acetylphenyl)pyridine-2-carboxylate
CID 164543652
methyl 5-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxylate
CID 54540338
methyl 6-fluoro-5-[4-(trifluoromethyl)phenyl]pyridine-3-carboxylate
CID 133089897

Frequently Asked Questions

What is the IUPAC name of methyl 4-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylate?
The IUPAC name of methyl 4-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylate (CID 117222258) is methyl 4-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylate.
What is the SMILES notation for methyl 4-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylate?
The canonical SMILES for methyl 4-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylate is COC(=O)c1cc(-c2ccc(C(F)(F)F)cc2)ccn1.
What is the InChIKey of methyl 4-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylate?
The InChIKey is VYUFKDFFCNNOMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3NO2/c1-20-13(19)12-8-10(6-7-18-12)9-2-4-11(5-3-9)14(15,16)17/h2-8H,1H3.
What are the key properties of methyl 4-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylate?
methyl 4-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylate has a molecular weight of 281.23 g/mol, XLogP of 3.55, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylate is sourced from PubChem (CID 117222258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).