methyl 3-amino-6-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxylate

C14H11F3N2O3 — CID 133086897

IUPACmethyl 3-amino-6-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxylate
SMILESCOC(=O)c1nc(-c2ccc(OC(F)(F)F)cc2)ccc1N
InChIInChI=1S/C14H11F3N2O3/c1-21-13(20)12-10(18)6-7-11(19-12)8-2-4-9(5-3-8)22-14(15,16)17/h2-7H,18H2,1H3
InChIKeyQUGVDXHFXMGAJV-UHFFFAOYSA-N
MW312.25 g/mol
LogP3.02
Rot. Bonds3

About methyl 3-amino-6-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxylate

methyl 3-amino-6-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxylate (PubChem CID 133086897) has the molecular formula C14H11F3N2O3 and a molecular weight of 312.25 g/mol. Its IUPAC name is methyl 3-amino-6-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-6-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxylate
PubChem CID133086897
Molecular FormulaC14H11F3N2O3
Molecular Weight312.25 g/mol
Exact Mass312.07
IUPAC Namemethyl 3-amino-6-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxylate
SMILESCOC(=O)c1nc(-c2ccc(OC(F)(F)F)cc2)ccc1N
InChIInChI=1S/C14H11F3N2O3/c1-21-13(20)12-10(18)6-7-11(19-12)8-2-4-9(5-3-8)22-14(15,16)17/h2-7H,18H2,1H3
InChIKeyQUGVDXHFXMGAJV-UHFFFAOYSA-N
XLogP3.02
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.25
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-amino-3-chloro-6-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxylate
CID 22677364
methyl 2,6-bis[4-(trifluoromethoxy)phenyl]pyridine-4-carboxylate
CID 134634051
methyl 6-[4-(trifluoromethoxy)phenyl]pyrazine-2-carboxylate
CID 167450862
methyl 3-amino-6-(trifluoromethyl)pyridine-2-carboxylate
CID 53417431
methyl 6-methoxy-3-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxylate
CID 134635686
3-nitro-6-[4-(trifluoromethoxy)phenyl]pyridin-2-amine
CID 135353115
methyl 5-hydroxy-6-oxo-2-[4-(trifluoromethoxy)phenyl]-1H-pyrimidine-4-carboxylate
CID 136882814
methyl 3-amino-6-thiophen-2-ylpyridine-2-carboxylate
CID 167489425
methyl 5-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)pyridine-2-carboxylate
CID 134635369
2-[4-(trifluoromethoxy)phenyl]quinoline-8-carboxamide
CID 71375758
methyl 2-[2-amino-4-[4-(trifluoromethoxy)phenyl]phenyl]acetate
CID 154815090
methyl 3-amino-6-methoxypyridine-2-carboxylate;hydrochloride
CID 71544878

Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-6-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxylate?
The IUPAC name of methyl 3-amino-6-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxylate (CID 133086897) is methyl 3-amino-6-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxylate.
What is the SMILES notation for methyl 3-amino-6-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxylate?
The canonical SMILES for methyl 3-amino-6-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxylate is COC(=O)c1nc(-c2ccc(OC(F)(F)F)cc2)ccc1N.
What is the InChIKey of methyl 3-amino-6-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxylate?
The InChIKey is QUGVDXHFXMGAJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N2O3/c1-21-13(20)12-10(18)6-7-11(19-12)8-2-4-9(5-3-8)22-14(15,16)17/h2-7H,18H2,1H3.
What are the key properties of methyl 3-amino-6-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxylate?
methyl 3-amino-6-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxylate has a molecular weight of 312.25 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-6-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxylate is sourced from PubChem (CID 133086897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).