methyl 4-amino-5-fluoro-3-methoxy-6-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylate

C15H12F4N2O3 — CID 71175262

IUPACmethyl 4-amino-5-fluoro-3-methoxy-6-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylate
SMILESCOC(=O)c1nc(-c2ccc(C(F)(F)F)cc2)c(F)c(N)c1OC
InChIInChI=1S/C15H12F4N2O3/c1-23-13-10(20)9(16)11(21-12(13)14(22)24-2)7-3-5-8(6-4-7)15(17,18)19/h3-6H,1-2H3,(H2,20,21)
InChIKeyVZJWPLLYPKEMPJ-UHFFFAOYSA-N
MW344.26 g/mol
LogP3.28
Rot. Bonds3

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

methyl 4-amino-5-fluoro-3-methoxy-6-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylate (PubChem CID 71175262) has the molecular formula C15H12F4N2O3 and a molecular weight of 344.26 g/mol. Its IUPAC name is methyl 4-amino-5-fluoro-3-methoxy-6-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-amino-5-fluoro-3-methoxy-6-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylate
PubChem CID71175262
Molecular FormulaC15H12F4N2O3
Molecular Weight344.26 g/mol
Exact Mass344.08
IUPAC Namemethyl 4-amino-5-fluoro-3-methoxy-6-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylate
SMILESCOC(=O)c1nc(-c2ccc(C(F)(F)F)cc2)c(F)c(N)c1OC
InChIInChI=1S/C15H12F4N2O3/c1-23-13-10(20)9(16)11(21-12(13)14(22)24-2)7-3-5-8(6-4-7)15(17,18)19/h3-6H,1-2H3,(H2,20,21)
InChIKeyVZJWPLLYPKEMPJ-UHFFFAOYSA-N
XLogP3.28
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.26
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-5-fluoro-3-methoxy-6-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylate?
The IUPAC name of methyl 4-amino-5-fluoro-3-methoxy-6-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylate (CID 71175262) is methyl 4-amino-5-fluoro-3-methoxy-6-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylate.
What is the SMILES notation for methyl 4-amino-5-fluoro-3-methoxy-6-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylate?
The canonical SMILES for methyl 4-amino-5-fluoro-3-methoxy-6-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylate is COC(=O)c1nc(-c2ccc(C(F)(F)F)cc2)c(F)c(N)c1OC.
What is the InChIKey of methyl 4-amino-5-fluoro-3-methoxy-6-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylate?
The InChIKey is VZJWPLLYPKEMPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F4N2O3/c1-23-13-10(20)9(16)11(21-12(13)14(22)24-2)7-3-5-8(6-4-7)15(17,18)19/h3-6H,1-2H3,(H2,20,21).
What are the key properties of methyl 4-amino-5-fluoro-3-methoxy-6-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylate?
methyl 4-amino-5-fluoro-3-methoxy-6-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylate has a molecular weight of 344.26 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-5-fluoro-3-methoxy-6-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylate is sourced from PubChem (CID 71175262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).