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

C11H11F5N2O2 — CID 133084605

IUPACethyl 2-(aminomethyl)-6-(difluoromethyl)-4-(trifluoromethyl)pyridine-3-carboxylate
SMILESCCOC(=O)c1c(C(F)(F)F)cc(C(F)F)nc1CN
InChIInChI=1S/C11H11F5N2O2/c1-2-20-10(19)8-5(11(14,15)16)3-6(9(12)13)18-7(8)4-17/h3,9H,2,4,17H2,1H3
InChIKeyYFDQVWLPMBLITL-UHFFFAOYSA-N
MW298.21 g/mol
LogP2.67
Rot. Bonds4

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

ethyl 2-(aminomethyl)-6-(difluoromethyl)-4-(trifluoromethyl)pyridine-3-carboxylate (PubChem CID 133084605) has the molecular formula C11H11F5N2O2 and a molecular weight of 298.21 g/mol. Its IUPAC name is ethyl 2-(aminomethyl)-6-(difluoromethyl)-4-(trifluoromethyl)pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-(aminomethyl)-6-(difluoromethyl)-4-(trifluoromethyl)pyridine-3-carboxylate
PubChem CID133084605
Molecular FormulaC11H11F5N2O2
Molecular Weight298.21 g/mol
Exact Mass298.07
IUPAC Nameethyl 2-(aminomethyl)-6-(difluoromethyl)-4-(trifluoromethyl)pyridine-3-carboxylate
SMILESCCOC(=O)c1c(C(F)(F)F)cc(C(F)F)nc1CN
InChIInChI=1S/C11H11F5N2O2/c1-2-20-10(19)8-5(11(14,15)16)3-6(9(12)13)18-7(8)4-17/h3,9H,2,4,17H2,1H3
InChIKeyYFDQVWLPMBLITL-UHFFFAOYSA-N
XLogP2.67
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.21
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-amino-6-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-carboxylate
CID 134673701
ethyl 6-(difluoromethyl)-4-(trifluoromethyl)pyridine-3-carboxylate
CID 134658831
methyl 2-[3-(aminomethyl)-6-(difluoromethyl)-4-(trifluoromethyl)-2-pyridinyl]acetate
CID 133084710
ethyl 6-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-carboxylate
CID 134664341
ethyl 3-amino-6-(difluoromethyl)-5-(trifluoromethyl)pyridine-2-carboxylate
CID 134684036
ethyl 3-(aminomethyl)-2-(difluoromethyl)-5-(trifluoromethyl)pyridine-4-carboxylate
CID 133084611
2-(aminomethyl)-6-(difluoromethyl)-4-(trifluoromethoxy)pyridine-3-carboxylic acid
CID 118836960
ethyl 6-(aminomethyl)-4-(difluoromethyl)-2-(trifluoromethoxy)pyridine-3-carboxylate
CID 134663608
ethyl 4-(aminomethyl)-2-cyano-6-(difluoromethyl)pyridine-3-carboxylate
CID 134686539
ethyl 6-chloro-2,4-bis(trifluoromethyl)pyridine-3-carboxylate
CID 10336213
ethyl 2-(aminomethyl)-6-fluoro-4-(trifluoromethoxy)pyridine-3-carboxylate
CID 134664905
ethyl 2-bromo-4-(bromomethyl)-6-(difluoromethyl)pyridine-3-carboxylate
CID 134662497

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(aminomethyl)-6-(difluoromethyl)-4-(trifluoromethyl)pyridine-3-carboxylate?
The IUPAC name of ethyl 2-(aminomethyl)-6-(difluoromethyl)-4-(trifluoromethyl)pyridine-3-carboxylate (CID 133084605) is ethyl 2-(aminomethyl)-6-(difluoromethyl)-4-(trifluoromethyl)pyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-(aminomethyl)-6-(difluoromethyl)-4-(trifluoromethyl)pyridine-3-carboxylate?
The canonical SMILES for ethyl 2-(aminomethyl)-6-(difluoromethyl)-4-(trifluoromethyl)pyridine-3-carboxylate is CCOC(=O)c1c(C(F)(F)F)cc(C(F)F)nc1CN.
What is the InChIKey of ethyl 2-(aminomethyl)-6-(difluoromethyl)-4-(trifluoromethyl)pyridine-3-carboxylate?
The InChIKey is YFDQVWLPMBLITL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F5N2O2/c1-2-20-10(19)8-5(11(14,15)16)3-6(9(12)13)18-7(8)4-17/h3,9H,2,4,17H2,1H3.
What are the key properties of ethyl 2-(aminomethyl)-6-(difluoromethyl)-4-(trifluoromethyl)pyridine-3-carboxylate?
ethyl 2-(aminomethyl)-6-(difluoromethyl)-4-(trifluoromethyl)pyridine-3-carboxylate has a molecular weight of 298.21 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(aminomethyl)-6-(difluoromethyl)-4-(trifluoromethyl)pyridine-3-carboxylate is sourced from PubChem (CID 133084605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).