methyl 4-methoxy-5-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylate

C14H11F3N2O3 — CID 139415884

IUPACmethyl 4-methoxy-5-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylate
SMILESCOC(=O)c1cc(OC)c(-c2ccc(C(F)(F)F)nc2)cn1
InChIInChI=1S/C14H11F3N2O3/c1-21-11-5-10(13(20)22-2)18-7-9(11)8-3-4-12(19-6-8)14(15,16)17/h3-7H,1-2H3
InChIKeyJFTQIILODCRZHX-UHFFFAOYSA-N
MW312.25 g/mol
LogP2.96
Rot. Bonds3

About methyl 4-methoxy-5-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylate

methyl 4-methoxy-5-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylate (PubChem CID 139415884) has the molecular formula C14H11F3N2O3 and a molecular weight of 312.25 g/mol. Its IUPAC name is methyl 4-methoxy-5-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-methoxy-5-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylate
PubChem CID139415884
Molecular FormulaC14H11F3N2O3
Molecular Weight312.25 g/mol
Exact Mass312.07
IUPAC Namemethyl 4-methoxy-5-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylate
SMILESCOC(=O)c1cc(OC)c(-c2ccc(C(F)(F)F)nc2)cn1
InChIInChI=1S/C14H11F3N2O3/c1-21-11-5-10(13(20)22-2)18-7-9(11)8-3-4-12(19-6-8)14(15,16)17/h3-7H,1-2H3
InChIKeyJFTQIILODCRZHX-UHFFFAOYSA-N
XLogP2.96
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.25
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-methoxy-5-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylate?
The IUPAC name of methyl 4-methoxy-5-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylate (CID 139415884) is methyl 4-methoxy-5-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylate.
What is the SMILES notation for methyl 4-methoxy-5-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylate?
The canonical SMILES for methyl 4-methoxy-5-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylate is COC(=O)c1cc(OC)c(-c2ccc(C(F)(F)F)nc2)cn1.
What is the InChIKey of methyl 4-methoxy-5-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylate?
The InChIKey is JFTQIILODCRZHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N2O3/c1-21-11-5-10(13(20)22-2)18-7-9(11)8-3-4-12(19-6-8)14(15,16)17/h3-7H,1-2H3.
What are the key properties of methyl 4-methoxy-5-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylate?
methyl 4-methoxy-5-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylate has a molecular weight of 312.25 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methoxy-5-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylate is sourced from PubChem (CID 139415884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).