ethyl 2-(aminomethyl)-3-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-4-carboxylate

C11H10F6N2O3 — CID 134671459

IUPACethyl 2-(aminomethyl)-3-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-4-carboxylate
SMILESCCOC(=O)c1cc(C(F)(F)F)nc(CN)c1OC(F)(F)F
InChIInChI=1S/C11H10F6N2O3/c1-2-21-9(20)5-3-7(10(12,13)14)19-6(4-18)8(5)22-11(15,16)17/h3H,2,4,18H2,1H3
InChIKeyRQVVCHHFCUCMMH-UHFFFAOYSA-N
MW332.20 g/mol
LogP2.63
Rot. Bonds4

About ethyl 2-(aminomethyl)-3-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-4-carboxylate

ethyl 2-(aminomethyl)-3-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-4-carboxylate (PubChem CID 134671459) has the molecular formula C11H10F6N2O3 and a molecular weight of 332.20 g/mol. Its IUPAC name is ethyl 2-(aminomethyl)-3-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-(aminomethyl)-3-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-4-carboxylate
PubChem CID134671459
Molecular FormulaC11H10F6N2O3
Molecular Weight332.20 g/mol
Exact Mass332.06
IUPAC Nameethyl 2-(aminomethyl)-3-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-4-carboxylate
SMILESCCOC(=O)c1cc(C(F)(F)F)nc(CN)c1OC(F)(F)F
InChIInChI=1S/C11H10F6N2O3/c1-2-21-9(20)5-3-7(10(12,13)14)19-6(4-18)8(5)22-11(15,16)17/h3H,2,4,18H2,1H3
InChIKeyRQVVCHHFCUCMMH-UHFFFAOYSA-N
XLogP2.63
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.20
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-methoxy-2-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-4-carboxylate
CID 134681879
ethyl 2-(aminomethyl)-6-methyl-5-(trifluoromethoxy)pyridine-3-carboxylate
CID 133085466
ethyl 6-(bromomethyl)-3-(trifluoromethoxy)-4-(trifluoromethyl)pyridine-2-carboxylate
CID 134672513
ethyl 2-(aminomethyl)-6-methoxy-5-(trifluoromethoxy)pyridine-3-carboxylate
CID 134668134
ethyl 3-hydroxy-6-(trifluoromethoxy)-2-(trifluoromethyl)pyridine-4-carboxylate
CID 134667290
2-[2-(aminomethyl)-6-methoxy-3-(trifluoromethoxy)-4-pyridinyl]acetic acid
CID 134660439
ethyl 2-(fluoromethyl)-3-methoxy-6-(trifluoromethoxy)pyridine-4-carboxylate
CID 134682047
ethyl 5-(aminomethyl)-6-methoxy-4-(trifluoromethoxy)pyridine-3-carboxylate
CID 134665016
ethyl 2-(aminomethyl)-6-fluoro-4-(trifluoromethoxy)pyridine-3-carboxylate
CID 134664905
ethyl 4-methoxy-2-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-3-carboxylate
CID 134680122
ethyl 2-(bromomethyl)-5-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-3-carboxylate
CID 134668756
ethyl 5-(aminomethyl)-2-methoxy-6-(trifluoromethoxy)pyridine-3-carboxylate
CID 134660436

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(aminomethyl)-3-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-4-carboxylate?
The IUPAC name of ethyl 2-(aminomethyl)-3-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-4-carboxylate (CID 134671459) is ethyl 2-(aminomethyl)-3-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-4-carboxylate.
What is the SMILES notation for ethyl 2-(aminomethyl)-3-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-4-carboxylate?
The canonical SMILES for ethyl 2-(aminomethyl)-3-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-4-carboxylate is CCOC(=O)c1cc(C(F)(F)F)nc(CN)c1OC(F)(F)F.
What is the InChIKey of ethyl 2-(aminomethyl)-3-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-4-carboxylate?
The InChIKey is RQVVCHHFCUCMMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F6N2O3/c1-2-21-9(20)5-3-7(10(12,13)14)19-6(4-18)8(5)22-11(15,16)17/h3H,2,4,18H2,1H3.
What are the key properties of ethyl 2-(aminomethyl)-3-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-4-carboxylate?
ethyl 2-(aminomethyl)-3-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-4-carboxylate has a molecular weight of 332.20 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(aminomethyl)-3-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-4-carboxylate is sourced from PubChem (CID 134671459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).