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

C11H11F5N2O3 — CID 134663608

IUPACethyl 6-(aminomethyl)-4-(difluoromethyl)-2-(trifluoromethoxy)pyridine-3-carboxylate
SMILESCCOC(=O)c1c(C(F)F)cc(CN)nc1OC(F)(F)F
InChIInChI=1S/C11H11F5N2O3/c1-2-20-10(19)7-6(8(12)13)3-5(4-17)18-9(7)21-11(14,15)16/h3,8H,2,4,17H2,1H3
InChIKeyCUKYYVAIQDRQRU-UHFFFAOYSA-N
MW314.21 g/mol
LogP2.55
Rot. Bonds5

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

ethyl 6-(aminomethyl)-4-(difluoromethyl)-2-(trifluoromethoxy)pyridine-3-carboxylate (PubChem CID 134663608) has the molecular formula C11H11F5N2O3 and a molecular weight of 314.21 g/mol. Its IUPAC name is ethyl 6-(aminomethyl)-4-(difluoromethyl)-2-(trifluoromethoxy)pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-(aminomethyl)-4-(difluoromethyl)-2-(trifluoromethoxy)pyridine-3-carboxylate
PubChem CID134663608
Molecular FormulaC11H11F5N2O3
Molecular Weight314.21 g/mol
Exact Mass314.07
IUPAC Nameethyl 6-(aminomethyl)-4-(difluoromethyl)-2-(trifluoromethoxy)pyridine-3-carboxylate
SMILESCCOC(=O)c1c(C(F)F)cc(CN)nc1OC(F)(F)F
InChIInChI=1S/C11H11F5N2O3/c1-2-20-10(19)7-6(8(12)13)3-5(4-17)18-9(7)21-11(14,15)16/h3,8H,2,4,17H2,1H3
InChIKeyCUKYYVAIQDRQRU-UHFFFAOYSA-N
XLogP2.55
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.21
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 6-(aminomethyl)-2-(difluoromethyl)-4-(trifluoromethoxy)pyridine-3-carboxylate
CID 134683031
ethyl 4-(difluoromethyl)-2-iodo-6-(trifluoromethoxy)pyridine-3-carboxylate
CID 134677344
methyl 2-[6-(aminomethyl)-4-(difluoromethyl)-2-(trifluoromethoxy)-3-pyridinyl]acetate
CID 134661443
ethyl 6-(chloromethyl)-4-methoxy-2-(trifluoromethoxy)pyridine-3-carboxylate
CID 134681855
6-(chloromethyl)-4-(difluoromethyl)-2-(trifluoromethoxy)pyridine-3-carboxylic acid
CID 134672327
ethyl 5-(difluoromethyl)-2-fluoro-6-(trifluoromethoxy)pyridine-3-carboxylate
CID 134677568
[4-(difluoromethyl)-5-methoxy-6-(trifluoromethoxy)-2-pyridinyl]methanamine
CID 134668794
ethyl 2-amino-6-(chloromethyl)-4-(difluoromethyl)pyridine-3-carboxylate
CID 134675365
ethyl 2-[6-(aminomethyl)-3-hydroxy-2-(trifluoromethoxy)-4-pyridinyl]acetate
CID 134659001
ethyl 2-amino-6-(bromomethyl)-4-(difluoromethyl)pyridine-3-carboxylate
CID 134677189
ethyl 2-(aminomethyl)-6-fluoro-4-(trifluoromethoxy)pyridine-3-carboxylate
CID 134664905
ethyl 4-methoxy-2-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-3-carboxylate
CID 134680122

Frequently Asked Questions

What is the IUPAC name of ethyl 6-(aminomethyl)-4-(difluoromethyl)-2-(trifluoromethoxy)pyridine-3-carboxylate?
The IUPAC name of ethyl 6-(aminomethyl)-4-(difluoromethyl)-2-(trifluoromethoxy)pyridine-3-carboxylate (CID 134663608) is ethyl 6-(aminomethyl)-4-(difluoromethyl)-2-(trifluoromethoxy)pyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-(aminomethyl)-4-(difluoromethyl)-2-(trifluoromethoxy)pyridine-3-carboxylate?
The canonical SMILES for ethyl 6-(aminomethyl)-4-(difluoromethyl)-2-(trifluoromethoxy)pyridine-3-carboxylate is CCOC(=O)c1c(C(F)F)cc(CN)nc1OC(F)(F)F.
What is the InChIKey of ethyl 6-(aminomethyl)-4-(difluoromethyl)-2-(trifluoromethoxy)pyridine-3-carboxylate?
The InChIKey is CUKYYVAIQDRQRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F5N2O3/c1-2-20-10(19)7-6(8(12)13)3-5(4-17)18-9(7)21-11(14,15)16/h3,8H,2,4,17H2,1H3.
What are the key properties of ethyl 6-(aminomethyl)-4-(difluoromethyl)-2-(trifluoromethoxy)pyridine-3-carboxylate?
ethyl 6-(aminomethyl)-4-(difluoromethyl)-2-(trifluoromethoxy)pyridine-3-carboxylate has a molecular weight of 314.21 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-(aminomethyl)-4-(difluoromethyl)-2-(trifluoromethoxy)pyridine-3-carboxylate is sourced from PubChem (CID 134663608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).