ethyl 2-amino-5-bromo-3-(difluoromethyl)pyridine-4-carboxylate

C9H9BrF2N2O2 — CID 134683617

IUPACethyl 2-amino-5-bromo-3-(difluoromethyl)pyridine-4-carboxylate
SMILESCCOC(=O)c1c(Br)cnc(N)c1C(F)F
InChIInChI=1S/C9H9BrF2N2O2/c1-2-16-9(15)5-4(10)3-14-8(13)6(5)7(11)12/h3,7H,2H2,1H3,(H2,13,14)
InChIKeyVGJXUTQVROLVPA-UHFFFAOYSA-N
MW295.08 g/mol
LogP2.54
Rot. Bonds3

About ethyl 2-amino-5-bromo-3-(difluoromethyl)pyridine-4-carboxylate

ethyl 2-amino-5-bromo-3-(difluoromethyl)pyridine-4-carboxylate (PubChem CID 134683617) has the molecular formula C9H9BrF2N2O2 and a molecular weight of 295.08 g/mol. Its IUPAC name is ethyl 2-amino-5-bromo-3-(difluoromethyl)pyridine-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-amino-5-bromo-3-(difluoromethyl)pyridine-4-carboxylate
PubChem CID134683617
Molecular FormulaC9H9BrF2N2O2
Molecular Weight295.08 g/mol
Exact Mass293.98
IUPAC Nameethyl 2-amino-5-bromo-3-(difluoromethyl)pyridine-4-carboxylate
SMILESCCOC(=O)c1c(Br)cnc(N)c1C(F)F
InChIInChI=1S/C9H9BrF2N2O2/c1-2-16-9(15)5-4(10)3-14-8(13)6(5)7(11)12/h3,7H,2H2,1H3,(H2,13,14)
InChIKeyVGJXUTQVROLVPA-UHFFFAOYSA-N
XLogP2.54
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.08
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 5-bromo-3-(difluoromethyl)-2-methylpyridine-4-carboxylate
CID 134685203
ethyl 6-amino-4-bromo-5-(difluoromethyl)pyridine-2-carboxylate
CID 134658929
ethyl 3-bromo-5-chloro-2-(difluoromethyl)pyridine-4-carboxylate
CID 134668722
ethyl 3-(difluoromethyl)-5-fluoro-2-methylpyridine-4-carboxylate
CID 133105223
ethyl 2,4-dibromo-5-(difluoromethyl)pyridine-3-carboxylate
CID 134683196
ethyl 4-(difluoromethyl)-2,5-difluoropyridine-3-carboxylate
CID 134661746
ethyl 3-bromo-5-(bromomethyl)-2-(difluoromethyl)pyridine-4-carboxylate
CID 134685320
methyl 2-(aminomethyl)-5-bromo-3-(difluoromethyl)pyridine-4-carboxylate
CID 134675412
ethyl 2-[4,6-diamino-5-(difluoromethyl)-3-pyridinyl]acetate
CID 134671707
ethyl 4-chloro-5-(difluoromethyl)-6-methylpyridine-3-carboxylate
CID 134669516
ethyl 6-(aminomethyl)-5-bromo-4-(difluoromethyl)pyridine-3-carboxylate
CID 134675420
ethyl 2-[5-bromo-3-(difluoromethyl)-4-fluoro-2-pyridinyl]acetate
CID 134683899

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-5-bromo-3-(difluoromethyl)pyridine-4-carboxylate?
The IUPAC name of ethyl 2-amino-5-bromo-3-(difluoromethyl)pyridine-4-carboxylate (CID 134683617) is ethyl 2-amino-5-bromo-3-(difluoromethyl)pyridine-4-carboxylate.
What is the SMILES notation for ethyl 2-amino-5-bromo-3-(difluoromethyl)pyridine-4-carboxylate?
The canonical SMILES for ethyl 2-amino-5-bromo-3-(difluoromethyl)pyridine-4-carboxylate is CCOC(=O)c1c(Br)cnc(N)c1C(F)F.
What is the InChIKey of ethyl 2-amino-5-bromo-3-(difluoromethyl)pyridine-4-carboxylate?
The InChIKey is VGJXUTQVROLVPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrF2N2O2/c1-2-16-9(15)5-4(10)3-14-8(13)6(5)7(11)12/h3,7H,2H2,1H3,(H2,13,14).
What are the key properties of ethyl 2-amino-5-bromo-3-(difluoromethyl)pyridine-4-carboxylate?
ethyl 2-amino-5-bromo-3-(difluoromethyl)pyridine-4-carboxylate has a molecular weight of 295.08 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-5-bromo-3-(difluoromethyl)pyridine-4-carboxylate is sourced from PubChem (CID 134683617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).