ethyl 2-[6-(aminomethyl)-5-bromo-4-(difluoromethyl)-2-pyridinyl]acetate

C11H13BrF2N2O2 — CID 134686052

IUPACethyl 2-[6-(aminomethyl)-5-bromo-4-(difluoromethyl)-2-pyridinyl]acetate
SMILESCCOC(=O)Cc1cc(C(F)F)c(Br)c(CN)n1
InChIInChI=1S/C11H13BrF2N2O2/c1-2-18-9(17)4-6-3-7(11(13)14)10(12)8(5-15)16-6/h3,11H,2,4-5,15H2,1H3
InChIKeyGDHIHUGEJJYHHO-UHFFFAOYSA-N
MW323.14 g/mol
LogP2.35
Rot. Bonds5

About ethyl 2-[6-(aminomethyl)-5-bromo-4-(difluoromethyl)-2-pyridinyl]acetate

ethyl 2-[6-(aminomethyl)-5-bromo-4-(difluoromethyl)-2-pyridinyl]acetate (PubChem CID 134686052) has the molecular formula C11H13BrF2N2O2 and a molecular weight of 323.14 g/mol. Its IUPAC name is ethyl 2-[6-(aminomethyl)-5-bromo-4-(difluoromethyl)-2-pyridinyl]acetate.

Molecular Properties

Compound Nameethyl 2-[6-(aminomethyl)-5-bromo-4-(difluoromethyl)-2-pyridinyl]acetate
PubChem CID134686052
Molecular FormulaC11H13BrF2N2O2
Molecular Weight323.14 g/mol
Exact Mass322.01
IUPAC Nameethyl 2-[6-(aminomethyl)-5-bromo-4-(difluoromethyl)-2-pyridinyl]acetate
SMILESCCOC(=O)Cc1cc(C(F)F)c(Br)c(CN)n1
InChIInChI=1S/C11H13BrF2N2O2/c1-2-18-9(17)4-6-3-7(11(13)14)10(12)8(5-15)16-6/h3,11H,2,4-5,15H2,1H3
InChIKeyGDHIHUGEJJYHHO-UHFFFAOYSA-N
XLogP2.35
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.14
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[5-bromo-6-chloro-4-(difluoromethyl)-2-pyridinyl]acetate
CID 134675410
ethyl 2-[5-bromo-4-(chloromethyl)-6-(difluoromethyl)-2-pyridinyl]acetate
CID 134686113
ethyl 2-[4-(difluoromethyl)-6-iodo-5-methyl-2-pyridinyl]acetate
CID 133101348
ethyl 2-[6-(bromomethyl)-5-(difluoromethyl)-2-pyridinyl]acetate
CID 134672914
ethyl 2-[5-amino-4-(difluoromethyl)-6-iodo-2-pyridinyl]acetate
CID 134684588
ethyl 2-[6-bromo-4-(difluoromethyl)-2-pyridinyl]acetate
CID 134682688
ethyl 2-[6-(aminomethyl)-4-bromo-3-(difluoromethyl)-2-pyridinyl]acetate
CID 134675354
ethyl 2-[4-bromo-6-(difluoromethyl)-5-fluoro-2-pyridinyl]acetate
CID 134673677
methyl 2-[5-amino-6-(aminomethyl)-4-(difluoromethyl)-2-pyridinyl]acetate
CID 134684597
ethyl 2-[6-bromo-5-(difluoromethyl)-3-iodo-2-pyridinyl]acetate
CID 134675103
ethyl 2-[3-bromo-6-(bromomethyl)-2-(difluoromethyl)-4-pyridinyl]acetate
CID 134684386
ethyl 2-[6-bromo-5-(difluoromethyl)-4-fluoro-2-pyridinyl]acetate
CID 134663511

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[6-(aminomethyl)-5-bromo-4-(difluoromethyl)-2-pyridinyl]acetate?
The IUPAC name of ethyl 2-[6-(aminomethyl)-5-bromo-4-(difluoromethyl)-2-pyridinyl]acetate (CID 134686052) is ethyl 2-[6-(aminomethyl)-5-bromo-4-(difluoromethyl)-2-pyridinyl]acetate.
What is the SMILES notation for ethyl 2-[6-(aminomethyl)-5-bromo-4-(difluoromethyl)-2-pyridinyl]acetate?
The canonical SMILES for ethyl 2-[6-(aminomethyl)-5-bromo-4-(difluoromethyl)-2-pyridinyl]acetate is CCOC(=O)Cc1cc(C(F)F)c(Br)c(CN)n1.
What is the InChIKey of ethyl 2-[6-(aminomethyl)-5-bromo-4-(difluoromethyl)-2-pyridinyl]acetate?
The InChIKey is GDHIHUGEJJYHHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrF2N2O2/c1-2-18-9(17)4-6-3-7(11(13)14)10(12)8(5-15)16-6/h3,11H,2,4-5,15H2,1H3.
What are the key properties of ethyl 2-[6-(aminomethyl)-5-bromo-4-(difluoromethyl)-2-pyridinyl]acetate?
ethyl 2-[6-(aminomethyl)-5-bromo-4-(difluoromethyl)-2-pyridinyl]acetate has a molecular weight of 323.14 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[6-(aminomethyl)-5-bromo-4-(difluoromethyl)-2-pyridinyl]acetate is sourced from PubChem (CID 134686052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).