methyl 6-phenylmethoxy-5-(trifluoromethyl)pyridine-2-carboxylate

C15H12F3NO3 — CID 118023691

IUPACmethyl 6-phenylmethoxy-5-(trifluoromethyl)pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(C(F)(F)F)c(OCc2ccccc2)n1
InChIInChI=1S/C15H12F3NO3/c1-21-14(20)12-8-7-11(15(16,17)18)13(19-12)22-9-10-5-3-2-4-6-10/h2-8H,9H2,1H3
InChIKeyKXXXXLCFCHUJQG-UHFFFAOYSA-N
MW311.26 g/mol
LogP3.47
Rot. Bonds4

About methyl 6-phenylmethoxy-5-(trifluoromethyl)pyridine-2-carboxylate

methyl 6-phenylmethoxy-5-(trifluoromethyl)pyridine-2-carboxylate (PubChem CID 118023691) has the molecular formula C15H12F3NO3 and a molecular weight of 311.26 g/mol. Its IUPAC name is methyl 6-phenylmethoxy-5-(trifluoromethyl)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-phenylmethoxy-5-(trifluoromethyl)pyridine-2-carboxylate
PubChem CID118023691
Molecular FormulaC15H12F3NO3
Molecular Weight311.26 g/mol
Exact Mass311.08
IUPAC Namemethyl 6-phenylmethoxy-5-(trifluoromethyl)pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(C(F)(F)F)c(OCc2ccccc2)n1
InChIInChI=1S/C15H12F3NO3/c1-21-14(20)12-8-7-11(15(16,17)18)13(19-12)22-9-10-5-3-2-4-6-10/h2-8H,9H2,1H3
InChIKeyKXXXXLCFCHUJQG-UHFFFAOYSA-N
XLogP3.47
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.26
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 6-phenylmethoxy-5-(trifluoromethyl)pyridine-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 5-[4-methoxy-6-phenylmethoxy-5-(trifluoromethyl)pyrimidin-2-yl]thiophene-2-carboxylate
CID 178173704
methyl 5-(phenylmethoxycarbonylamino)-6-(trifluoromethyl)pyridine-2-carboxylate
CID 164543105
methyl 6-amino-5-(trifluoromethyl)pyridine-2-carboxylate
CID 131465361
methyl 5-amino-6-[(4-bromophenyl)methoxy]pyridine-2-carboxylate
CID 114409174
methyl 6-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylmethoxypyridine-2-carboxylate
CID 178148128
methyl 5-amino-6-[(3-bromophenyl)methoxy]pyridine-2-carboxylate
CID 114409176
methyl 5-amino-6-(3-phenylpropoxy)pyridine-2-carboxylate
CID 114408903
5,6-bis(phenylmethoxy)pyridine-2-carboxylic acid
CID 166479827
3-[[6-phenylmethoxy-5-(trifluoromethyl)-3-pyridinyl]amino]propanoic acid
CID 174238704
5-amino-6-phenylmethoxypyridine-2-carboxamide
CID 114408377
ethane;1-phenylmethoxy-2-(trifluoromethyl)benzene
CID 144801001
(2R)-2-methyl-1-[6-phenylmethoxy-5-(trifluoromethyl)-2-pyridinyl]piperazine
CID 10454284

Frequently Asked Questions

What is the IUPAC name of methyl 6-phenylmethoxy-5-(trifluoromethyl)pyridine-2-carboxylate?
The IUPAC name of methyl 6-phenylmethoxy-5-(trifluoromethyl)pyridine-2-carboxylate (CID 118023691) is methyl 6-phenylmethoxy-5-(trifluoromethyl)pyridine-2-carboxylate.
What is the SMILES notation for methyl 6-phenylmethoxy-5-(trifluoromethyl)pyridine-2-carboxylate?
The canonical SMILES for methyl 6-phenylmethoxy-5-(trifluoromethyl)pyridine-2-carboxylate is COC(=O)c1ccc(C(F)(F)F)c(OCc2ccccc2)n1.
What is the InChIKey of methyl 6-phenylmethoxy-5-(trifluoromethyl)pyridine-2-carboxylate?
The InChIKey is KXXXXLCFCHUJQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3NO3/c1-21-14(20)12-8-7-11(15(16,17)18)13(19-12)22-9-10-5-3-2-4-6-10/h2-8H,9H2,1H3.
What are the key properties of methyl 6-phenylmethoxy-5-(trifluoromethyl)pyridine-2-carboxylate?
methyl 6-phenylmethoxy-5-(trifluoromethyl)pyridine-2-carboxylate has a molecular weight of 311.26 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-phenylmethoxy-5-(trifluoromethyl)pyridine-2-carboxylate is sourced from PubChem (CID 118023691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).