ethyl 3-(aminomethyl)-5-hydroxy-4-(trifluoromethoxy)pyridine-2-carboxylate

C10H11F3N2O4 — CID 134665521

IUPACethyl 3-(aminomethyl)-5-hydroxy-4-(trifluoromethoxy)pyridine-2-carboxylate
SMILESCCOC(=O)c1ncc(O)c(OC(F)(F)F)c1CN
InChIInChI=1S/C10H11F3N2O4/c1-2-18-9(17)7-5(3-14)8(6(16)4-15-7)19-10(11,12)13/h4,16H,2-3,14H2,1H3
InChIKeyBKODGOWLCBTXOT-UHFFFAOYSA-N
MW280.20 g/mol
LogP1.32
Rot. Bonds4

About ethyl 3-(aminomethyl)-5-hydroxy-4-(trifluoromethoxy)pyridine-2-carboxylate

ethyl 3-(aminomethyl)-5-hydroxy-4-(trifluoromethoxy)pyridine-2-carboxylate (PubChem CID 134665521) has the molecular formula C10H11F3N2O4 and a molecular weight of 280.20 g/mol. Its IUPAC name is ethyl 3-(aminomethyl)-5-hydroxy-4-(trifluoromethoxy)pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-(aminomethyl)-5-hydroxy-4-(trifluoromethoxy)pyridine-2-carboxylate
PubChem CID134665521
Molecular FormulaC10H11F3N2O4
Molecular Weight280.20 g/mol
Exact Mass280.07
IUPAC Nameethyl 3-(aminomethyl)-5-hydroxy-4-(trifluoromethoxy)pyridine-2-carboxylate
SMILESCCOC(=O)c1ncc(O)c(OC(F)(F)F)c1CN
InChIInChI=1S/C10H11F3N2O4/c1-2-18-9(17)7-5(3-14)8(6(16)4-15-7)19-10(11,12)13/h4,16H,2-3,14H2,1H3
InChIKeyBKODGOWLCBTXOT-UHFFFAOYSA-N
XLogP1.32
TPSA94.67 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.20
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 5-hydroxy-4-methyl-3-(trifluoromethoxy)pyridine-2-carboxylate
CID 134680335
ethyl 4-(chloromethyl)-5-hydroxy-3-(trifluoromethoxy)pyridine-2-carboxylate
CID 134680721
methyl 5-amino-3-(aminomethyl)-4-(trifluoromethoxy)pyridine-2-carboxylate
CID 133085948
2-[3-(aminomethyl)-5-hydroxy-4-(trifluoromethoxy)-2-pyridinyl]acetic acid
CID 134680395
ethyl 3-hydroxy-5-methoxy-4-(trifluoromethoxy)pyridine-2-carboxylate
CID 134666742
2-[5-hydroxy-2-methyl-4-(trifluoromethoxy)-3-pyridinyl]acetic acid
CID 134680979
ethyl 4-amino-3-(fluoromethyl)-5-(trifluoromethoxy)pyridine-2-carboxylate
CID 133087391
ethyl 4-(bromomethyl)-5-iodo-3-(trifluoromethoxy)pyridine-2-carboxylate
CID 134678471
ethyl 4-(aminomethyl)-6-methoxy-5-(trifluoromethoxy)pyridine-3-carboxylate
CID 134679427
ethyl 5-(aminomethyl)-6-methoxy-4-(trifluoromethoxy)pyridine-3-carboxylate
CID 134665016
ethyl 5-(difluoromethyl)-4-nitro-3-(trifluoromethoxy)pyridine-2-carboxylate
CID 134672833
ethyl 3-methyl-5-nitro-4-(trifluoromethoxy)pyridine-2-carboxylate
CID 134677650

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(aminomethyl)-5-hydroxy-4-(trifluoromethoxy)pyridine-2-carboxylate?
The IUPAC name of ethyl 3-(aminomethyl)-5-hydroxy-4-(trifluoromethoxy)pyridine-2-carboxylate (CID 134665521) is ethyl 3-(aminomethyl)-5-hydroxy-4-(trifluoromethoxy)pyridine-2-carboxylate.
What is the SMILES notation for ethyl 3-(aminomethyl)-5-hydroxy-4-(trifluoromethoxy)pyridine-2-carboxylate?
The canonical SMILES for ethyl 3-(aminomethyl)-5-hydroxy-4-(trifluoromethoxy)pyridine-2-carboxylate is CCOC(=O)c1ncc(O)c(OC(F)(F)F)c1CN.
What is the InChIKey of ethyl 3-(aminomethyl)-5-hydroxy-4-(trifluoromethoxy)pyridine-2-carboxylate?
The InChIKey is BKODGOWLCBTXOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O4/c1-2-18-9(17)7-5(3-14)8(6(16)4-15-7)19-10(11,12)13/h4,16H,2-3,14H2,1H3.
What are the key properties of ethyl 3-(aminomethyl)-5-hydroxy-4-(trifluoromethoxy)pyridine-2-carboxylate?
ethyl 3-(aminomethyl)-5-hydroxy-4-(trifluoromethoxy)pyridine-2-carboxylate has a molecular weight of 280.20 g/mol, XLogP of 1.32, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(aminomethyl)-5-hydroxy-4-(trifluoromethoxy)pyridine-2-carboxylate is sourced from PubChem (CID 134665521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).