ethyl 5-(aminomethyl)-4-iodo-6-(trifluoromethoxy)pyridine-3-carboxylate

C10H10F3IN2O3 — CID 134667648

IUPACethyl 5-(aminomethyl)-4-iodo-6-(trifluoromethoxy)pyridine-3-carboxylate
SMILESCCOC(=O)c1cnc(OC(F)(F)F)c(CN)c1I
InChIInChI=1S/C10H10F3IN2O3/c1-2-18-9(17)6-4-16-8(19-10(11,12)13)5(3-15)7(6)14/h4H,2-3,15H2,1H3
InChIKeyYVKPDRKKSXXBMC-UHFFFAOYSA-N
MW390.10 g/mol
LogP2.22
Rot. Bonds4

About ethyl 5-(aminomethyl)-4-iodo-6-(trifluoromethoxy)pyridine-3-carboxylate

ethyl 5-(aminomethyl)-4-iodo-6-(trifluoromethoxy)pyridine-3-carboxylate (PubChem CID 134667648) has the molecular formula C10H10F3IN2O3 and a molecular weight of 390.10 g/mol. Its IUPAC name is ethyl 5-(aminomethyl)-4-iodo-6-(trifluoromethoxy)pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-(aminomethyl)-4-iodo-6-(trifluoromethoxy)pyridine-3-carboxylate
PubChem CID134667648
Molecular FormulaC10H10F3IN2O3
Molecular Weight390.10 g/mol
Exact Mass389.97
IUPAC Nameethyl 5-(aminomethyl)-4-iodo-6-(trifluoromethoxy)pyridine-3-carboxylate
SMILESCCOC(=O)c1cnc(OC(F)(F)F)c(CN)c1I
InChIInChI=1S/C10H10F3IN2O3/c1-2-18-9(17)6-4-16-8(19-10(11,12)13)5(3-15)7(6)14/h4H,2-3,15H2,1H3
InChIKeyYVKPDRKKSXXBMC-UHFFFAOYSA-N
XLogP2.22
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.10
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze ethyl 5-(aminomethyl)-4-iodo-6-(trifluoromethoxy)pyridine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 4-(aminomethyl)-6-methoxy-5-(trifluoromethoxy)pyridine-3-carboxylate
CID 134679427
ethyl 5-(aminomethyl)-6-methoxy-4-(trifluoromethoxy)pyridine-3-carboxylate
CID 134665016
[4-iodo-5-methyl-2-(trifluoromethoxy)-3-pyridinyl]methanamine
CID 130112707
ethyl 6-(chloromethyl)-5-iodo-4-(trifluoromethoxy)pyridine-3-carboxylate
CID 134679962
ethyl 2-[5-iodo-2-(trifluoromethoxy)-4-(trifluoromethyl)-3-pyridinyl]acetate
CID 134660254
ethyl 6-iodo-4-methoxy-5-(trifluoromethoxy)pyridine-3-carboxylate
CID 134675689
ethyl 2-[4-(aminomethyl)-5-fluoro-6-(trifluoromethoxy)-3-pyridinyl]acetate
CID 134677113
ethyl 3-(bromomethyl)-5-hydroxy-2-(trifluoromethoxy)pyridine-4-carboxylate
CID 134664441
ethyl 2-[5-iodo-4-methoxy-6-(trifluoromethoxy)-3-pyridinyl]acetate
CID 134659124
[5-iodo-3-methyl-2-(trifluoromethoxy)-4-pyridinyl]methanamine
CID 130112723
[5-(difluoromethyl)-4-iodo-2-(trifluoromethoxy)-3-pyridinyl]methanamine
CID 134660996
2-[4-(aminomethyl)-5-methyl-6-(trifluoromethoxy)-3-pyridinyl]acetic acid
CID 118824185

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(aminomethyl)-4-iodo-6-(trifluoromethoxy)pyridine-3-carboxylate?
The IUPAC name of ethyl 5-(aminomethyl)-4-iodo-6-(trifluoromethoxy)pyridine-3-carboxylate (CID 134667648) is ethyl 5-(aminomethyl)-4-iodo-6-(trifluoromethoxy)pyridine-3-carboxylate.
What is the SMILES notation for ethyl 5-(aminomethyl)-4-iodo-6-(trifluoromethoxy)pyridine-3-carboxylate?
The canonical SMILES for ethyl 5-(aminomethyl)-4-iodo-6-(trifluoromethoxy)pyridine-3-carboxylate is CCOC(=O)c1cnc(OC(F)(F)F)c(CN)c1I.
What is the InChIKey of ethyl 5-(aminomethyl)-4-iodo-6-(trifluoromethoxy)pyridine-3-carboxylate?
The InChIKey is YVKPDRKKSXXBMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3IN2O3/c1-2-18-9(17)6-4-16-8(19-10(11,12)13)5(3-15)7(6)14/h4H,2-3,15H2,1H3.
What are the key properties of ethyl 5-(aminomethyl)-4-iodo-6-(trifluoromethoxy)pyridine-3-carboxylate?
ethyl 5-(aminomethyl)-4-iodo-6-(trifluoromethoxy)pyridine-3-carboxylate has a molecular weight of 390.10 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(aminomethyl)-4-iodo-6-(trifluoromethoxy)pyridine-3-carboxylate is sourced from PubChem (CID 134667648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).