methyl 2-amino-3-(trifluoromethoxy)pyridine-4-carboxylate

C8H7F3N2O3 — CID 171028893

IUPACmethyl 2-amino-3-(trifluoromethoxy)pyridine-4-carboxylate
SMILESCOC(=O)c1ccnc(N)c1OC(F)(F)F
InChIInChI=1S/C8H7F3N2O3/c1-15-7(14)4-2-3-13-6(12)5(4)16-8(9,10)11/h2-3H,1H3,(H2,12,13)
InChIKeyGOFMJUHUVFGNBX-UHFFFAOYSA-N
MW236.15 g/mol
LogP1.35
Rot. Bonds2

About methyl 2-amino-3-(trifluoromethoxy)pyridine-4-carboxylate

methyl 2-amino-3-(trifluoromethoxy)pyridine-4-carboxylate (PubChem CID 171028893) has the molecular formula C8H7F3N2O3 and a molecular weight of 236.15 g/mol. Its IUPAC name is methyl 2-amino-3-(trifluoromethoxy)pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-amino-3-(trifluoromethoxy)pyridine-4-carboxylate
PubChem CID171028893
Molecular FormulaC8H7F3N2O3
Molecular Weight236.15 g/mol
Exact Mass236.04
IUPAC Namemethyl 2-amino-3-(trifluoromethoxy)pyridine-4-carboxylate
SMILESCOC(=O)c1ccnc(N)c1OC(F)(F)F
InChIInChI=1S/C8H7F3N2O3/c1-15-7(14)4-2-3-13-6(12)5(4)16-8(9,10)11/h2-3H,1H3,(H2,12,13)
InChIKeyGOFMJUHUVFGNBX-UHFFFAOYSA-N
XLogP1.35
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.15
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 7-(trifluoromethoxy)quinoline-4-carboxylate
CID 53418982
methyl 2-amino-3-carbamoylpyridine-4-carboxylate
CID 174835549
methyl 5-methoxy-4-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-3-carboxylate
CID 134668443
4-iodo-3-(trifluoromethoxy)pyridin-2-amine
CID 119014421
methyl 7-[1-(trifluoromethoxy)ethyl]quinoline-4-carboxylate
CID 170451400
methyl 2-amino-3-phenylpyridine-4-carboxylate
CID 133098297
methyl 5-(fluoromethyl)-6-iodo-4-(trifluoromethoxy)pyridine-3-carboxylate
CID 134680047
methyl 3-amino-2-(difluoromethyl)pyridine-4-carboxylate
CID 130094864
methyl 6-methoxy-4-(trifluoromethoxy)-5-(trifluoromethyl)pyridine-3-carboxylate
CID 134663841
methyl 3-methoxy-6-(trifluoromethoxy)-2-(trifluoromethyl)pyridine-4-carboxylate
CID 134677123
methyl 2-chloro-6-(trifluoromethoxy)pyridine-3-carboxylate
CID 171029052
dimethyl 2,3-dimethoxybenzene-1,4-dicarboxylate
CID 10682339

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-3-(trifluoromethoxy)pyridine-4-carboxylate?
The IUPAC name of methyl 2-amino-3-(trifluoromethoxy)pyridine-4-carboxylate (CID 171028893) is methyl 2-amino-3-(trifluoromethoxy)pyridine-4-carboxylate.
What is the SMILES notation for methyl 2-amino-3-(trifluoromethoxy)pyridine-4-carboxylate?
The canonical SMILES for methyl 2-amino-3-(trifluoromethoxy)pyridine-4-carboxylate is COC(=O)c1ccnc(N)c1OC(F)(F)F.
What is the InChIKey of methyl 2-amino-3-(trifluoromethoxy)pyridine-4-carboxylate?
The InChIKey is GOFMJUHUVFGNBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3N2O3/c1-15-7(14)4-2-3-13-6(12)5(4)16-8(9,10)11/h2-3H,1H3,(H2,12,13).
What are the key properties of methyl 2-amino-3-(trifluoromethoxy)pyridine-4-carboxylate?
methyl 2-amino-3-(trifluoromethoxy)pyridine-4-carboxylate has a molecular weight of 236.15 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-3-(trifluoromethoxy)pyridine-4-carboxylate is sourced from PubChem (CID 171028893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).