ethyl 2-[6-amino-5-bromo-2-(difluoromethyl)-3-pyridinyl]acetate

C10H11BrF2N2O2 — CID 134658560

IUPACethyl 2-[6-amino-5-bromo-2-(difluoromethyl)-3-pyridinyl]acetate
SMILESCCOC(=O)Cc1cc(Br)c(N)nc1C(F)F
InChIInChI=1S/C10H11BrF2N2O2/c1-2-17-7(16)4-5-3-6(11)10(14)15-8(5)9(12)13/h3,9H,2,4H2,1H3,(H2,14,15)
InChIKeyCGTWSXLLJSXLOT-UHFFFAOYSA-N
MW309.11 g/mol
LogP2.47
Rot. Bonds4

About ethyl 2-[6-amino-5-bromo-2-(difluoromethyl)-3-pyridinyl]acetate

ethyl 2-[6-amino-5-bromo-2-(difluoromethyl)-3-pyridinyl]acetate (PubChem CID 134658560) has the molecular formula C10H11BrF2N2O2 and a molecular weight of 309.11 g/mol. Its IUPAC name is ethyl 2-[6-amino-5-bromo-2-(difluoromethyl)-3-pyridinyl]acetate.

Molecular Properties

Compound Nameethyl 2-[6-amino-5-bromo-2-(difluoromethyl)-3-pyridinyl]acetate
PubChem CID134658560
Molecular FormulaC10H11BrF2N2O2
Molecular Weight309.11 g/mol
Exact Mass308.00
IUPAC Nameethyl 2-[6-amino-5-bromo-2-(difluoromethyl)-3-pyridinyl]acetate
SMILESCCOC(=O)Cc1cc(Br)c(N)nc1C(F)F
InChIInChI=1S/C10H11BrF2N2O2/c1-2-17-7(16)4-5-3-6(11)10(14)15-8(5)9(12)13/h3,9H,2,4H2,1H3,(H2,14,15)
InChIKeyCGTWSXLLJSXLOT-UHFFFAOYSA-N
XLogP2.47
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.11
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[6-amino-5-(bromomethyl)-2-(difluoromethyl)-3-pyridinyl]acetate
CID 134674485
ethyl 2-[6-amino-5-(aminomethyl)-2-(difluoromethyl)-3-pyridinyl]acetate
CID 134664484
ethyl 2-[2-amino-5-(aminomethyl)-6-(difluoromethyl)-3-pyridinyl]acetate
CID 134683900
ethyl 2-[2-bromo-6-(difluoromethyl)-5-hydroxy-3-pyridinyl]acetate
CID 134684377
ethyl 2-[4-bromo-6-(difluoromethyl)-5-fluoro-2-pyridinyl]acetate
CID 134673677
ethyl 3-bromo-5-(chloromethyl)-6-(difluoromethyl)pyridine-2-carboxylate
CID 134685236
ethyl 2-[3-bromo-6-(bromomethyl)-2-(difluoromethyl)-4-pyridinyl]acetate
CID 134684386
ethyl 2-[6-(aminomethyl)-2-(difluoromethyl)-3-pyridinyl]acetate
CID 134669121
ethyl 2-[2,4-dibromo-6-(difluoromethyl)-3-pyridinyl]acetate
CID 134676450
ethyl 2-[4-bromo-6-(difluoromethyl)-3-pyridinyl]acetate
CID 134672940
ethyl 5-amino-3-bromo-6-(difluoromethyl)pyridine-2-carboxylate
CID 134658559
ethyl 2-[4-bromo-6-(bromomethyl)-2-(difluoromethyl)-3-pyridinyl]acetate
CID 134684376

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[6-amino-5-bromo-2-(difluoromethyl)-3-pyridinyl]acetate?
The IUPAC name of ethyl 2-[6-amino-5-bromo-2-(difluoromethyl)-3-pyridinyl]acetate (CID 134658560) is ethyl 2-[6-amino-5-bromo-2-(difluoromethyl)-3-pyridinyl]acetate.
What is the SMILES notation for ethyl 2-[6-amino-5-bromo-2-(difluoromethyl)-3-pyridinyl]acetate?
The canonical SMILES for ethyl 2-[6-amino-5-bromo-2-(difluoromethyl)-3-pyridinyl]acetate is CCOC(=O)Cc1cc(Br)c(N)nc1C(F)F.
What is the InChIKey of ethyl 2-[6-amino-5-bromo-2-(difluoromethyl)-3-pyridinyl]acetate?
The InChIKey is CGTWSXLLJSXLOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrF2N2O2/c1-2-17-7(16)4-5-3-6(11)10(14)15-8(5)9(12)13/h3,9H,2,4H2,1H3,(H2,14,15).
What are the key properties of ethyl 2-[6-amino-5-bromo-2-(difluoromethyl)-3-pyridinyl]acetate?
ethyl 2-[6-amino-5-bromo-2-(difluoromethyl)-3-pyridinyl]acetate has a molecular weight of 309.11 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[6-amino-5-bromo-2-(difluoromethyl)-3-pyridinyl]acetate is sourced from PubChem (CID 134658560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).