ethyl 4-amino-5-(trifluoromethoxy)pyridine-2-carboxylate

C9H9F3N2O3 — CID 171028949

IUPACethyl 4-amino-5-(trifluoromethoxy)pyridine-2-carboxylate
SMILESCCOC(=O)c1cc(N)c(OC(F)(F)F)cn1
InChIInChI=1S/C9H9F3N2O3/c1-2-16-8(15)6-3-5(13)7(4-14-6)17-9(10,11)12/h3-4H,2H2,1H3,(H2,13,14)
InChIKeyIVUXBSPEOYZAIV-UHFFFAOYSA-N
MW250.18 g/mol
LogP1.74
Rot. Bonds3

About ethyl 4-amino-5-(trifluoromethoxy)pyridine-2-carboxylate

ethyl 4-amino-5-(trifluoromethoxy)pyridine-2-carboxylate (PubChem CID 171028949) has the molecular formula C9H9F3N2O3 and a molecular weight of 250.18 g/mol. Its IUPAC name is ethyl 4-amino-5-(trifluoromethoxy)pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-amino-5-(trifluoromethoxy)pyridine-2-carboxylate
PubChem CID171028949
Molecular FormulaC9H9F3N2O3
Molecular Weight250.18 g/mol
Exact Mass250.06
IUPAC Nameethyl 4-amino-5-(trifluoromethoxy)pyridine-2-carboxylate
SMILESCCOC(=O)c1cc(N)c(OC(F)(F)F)cn1
InChIInChI=1S/C9H9F3N2O3/c1-2-16-8(15)6-3-5(13)7(4-14-6)17-9(10,11)12/h3-4H,2H2,1H3,(H2,13,14)
InChIKeyIVUXBSPEOYZAIV-UHFFFAOYSA-N
XLogP1.74
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.18
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-amino-3-(fluoromethyl)-5-(trifluoromethoxy)pyridine-2-carboxylate
CID 133087391
ethyl 2-iodo-3-methoxy-5-(trifluoromethoxy)pyridine-4-carboxylate
CID 134659057
ethyl 4-amino-5-(aminomethyl)-6-(trifluoromethoxy)pyridine-2-carboxylate
CID 133086018
ethyl 6-bromo-4-(trifluoromethoxy)pyridine-3-carboxylate
CID 171029000
ethyl 3-(aminomethyl)-5-(trifluoromethoxy)-2-(trifluoromethyl)pyridine-4-carboxylate
CID 134682897
ethyl 5-amino-6-(trifluoromethoxy)pyridine-2-carboxylate
CID 171028937
ethyl 5-amino-6-cyano-4-(trifluoromethoxy)pyridine-2-carboxylate
CID 133096570
ethyl 4,5-diethylpyridine-2-carboxylate
CID 144863109
ethyl 6-(chloromethyl)-5-fluoro-4-(trifluoromethoxy)pyridine-2-carboxylate
CID 134680363
ethyl 2-(fluoromethyl)-3-iodo-5-(trifluoromethoxy)pyridine-4-carboxylate
CID 134676743
ethyl 2-(difluoromethyl)-3-hydroxy-5-(trifluoromethoxy)pyridine-4-carboxylate
CID 134677712
ethyl 5-bromo-2-(trifluoromethoxy)pyridine-4-carboxylate
CID 171029018

Frequently Asked Questions

What is the IUPAC name of ethyl 4-amino-5-(trifluoromethoxy)pyridine-2-carboxylate?
The IUPAC name of ethyl 4-amino-5-(trifluoromethoxy)pyridine-2-carboxylate (CID 171028949) is ethyl 4-amino-5-(trifluoromethoxy)pyridine-2-carboxylate.
What is the SMILES notation for ethyl 4-amino-5-(trifluoromethoxy)pyridine-2-carboxylate?
The canonical SMILES for ethyl 4-amino-5-(trifluoromethoxy)pyridine-2-carboxylate is CCOC(=O)c1cc(N)c(OC(F)(F)F)cn1.
What is the InChIKey of ethyl 4-amino-5-(trifluoromethoxy)pyridine-2-carboxylate?
The InChIKey is IVUXBSPEOYZAIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N2O3/c1-2-16-8(15)6-3-5(13)7(4-14-6)17-9(10,11)12/h3-4H,2H2,1H3,(H2,13,14).
What are the key properties of ethyl 4-amino-5-(trifluoromethoxy)pyridine-2-carboxylate?
ethyl 4-amino-5-(trifluoromethoxy)pyridine-2-carboxylate has a molecular weight of 250.18 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-amino-5-(trifluoromethoxy)pyridine-2-carboxylate is sourced from PubChem (CID 171028949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).