ethyl 6-amino-4-bromo-5-(difluoromethyl)pyridine-2-carboxylate

C9H9BrF2N2O2 — CID 134658929

IUPACethyl 6-amino-4-bromo-5-(difluoromethyl)pyridine-2-carboxylate
SMILESCCOC(=O)c1cc(Br)c(C(F)F)c(N)n1
InChIInChI=1S/C9H9BrF2N2O2/c1-2-16-9(15)5-3-4(10)6(7(11)12)8(13)14-5/h3,7H,2H2,1H3,(H2,13,14)
InChIKeySSVPFWCFTOIMRX-UHFFFAOYSA-N
MW295.08 g/mol
LogP2.54
Rot. Bonds3

About ethyl 6-amino-4-bromo-5-(difluoromethyl)pyridine-2-carboxylate

ethyl 6-amino-4-bromo-5-(difluoromethyl)pyridine-2-carboxylate (PubChem CID 134658929) has the molecular formula C9H9BrF2N2O2 and a molecular weight of 295.08 g/mol. Its IUPAC name is ethyl 6-amino-4-bromo-5-(difluoromethyl)pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-amino-4-bromo-5-(difluoromethyl)pyridine-2-carboxylate
PubChem CID134658929
Molecular FormulaC9H9BrF2N2O2
Molecular Weight295.08 g/mol
Exact Mass293.98
IUPAC Nameethyl 6-amino-4-bromo-5-(difluoromethyl)pyridine-2-carboxylate
SMILESCCOC(=O)c1cc(Br)c(C(F)F)c(N)n1
InChIInChI=1S/C9H9BrF2N2O2/c1-2-16-9(15)5-3-4(10)6(7(11)12)8(13)14-5/h3,7H,2H2,1H3,(H2,13,14)
InChIKeySSVPFWCFTOIMRX-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 4-amino-6-bromo-3-(difluoromethyl)pyridine-2-carboxylate
CID 134684567
ethyl 4-bromo-5-(difluoromethyl)-6-oxo-1H-pyridine-2-carboxylate
CID 134684512
ethyl 6-chloro-5-(difluoromethyl)-4-fluoropyridine-2-carboxylate
CID 134662482
ethyl 2-amino-5-bromo-3-(difluoromethyl)pyridine-4-carboxylate
CID 134683617
ethyl 5-(difluoromethyl)-6-methoxy-4-methylpyridine-2-carboxylate
CID 133100416
ethyl 6-amino-5-cyano-4-(difluoromethyl)pyridine-2-carboxylate
CID 134664578
ethyl 5-(aminomethyl)-6-bromo-4-(difluoromethyl)pyridine-2-carboxylate
CID 134675985
ethyl 5-bromo-4-(chloromethyl)-6-(difluoromethyl)pyridine-2-carboxylate
CID 134674811
ethyl 4-(difluoromethyl)-6-fluoropyridine-2-carboxylate
CID 133090953
ethyl 5-amino-3-bromo-6-(difluoromethyl)pyridine-2-carboxylate
CID 134658559
diethyl 4-aminopyridine-2,6-dicarboxylate;hydrochloride
CID 137333254
ethyl 6-(difluoromethyl)-4,5-difluoropyridine-2-carboxylate
CID 134677164

Frequently Asked Questions

What is the IUPAC name of ethyl 6-amino-4-bromo-5-(difluoromethyl)pyridine-2-carboxylate?
The IUPAC name of ethyl 6-amino-4-bromo-5-(difluoromethyl)pyridine-2-carboxylate (CID 134658929) is ethyl 6-amino-4-bromo-5-(difluoromethyl)pyridine-2-carboxylate.
What is the SMILES notation for ethyl 6-amino-4-bromo-5-(difluoromethyl)pyridine-2-carboxylate?
The canonical SMILES for ethyl 6-amino-4-bromo-5-(difluoromethyl)pyridine-2-carboxylate is CCOC(=O)c1cc(Br)c(C(F)F)c(N)n1.
What is the InChIKey of ethyl 6-amino-4-bromo-5-(difluoromethyl)pyridine-2-carboxylate?
The InChIKey is SSVPFWCFTOIMRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrF2N2O2/c1-2-16-9(15)5-3-4(10)6(7(11)12)8(13)14-5/h3,7H,2H2,1H3,(H2,13,14).
What are the key properties of ethyl 6-amino-4-bromo-5-(difluoromethyl)pyridine-2-carboxylate?
ethyl 6-amino-4-bromo-5-(difluoromethyl)pyridine-2-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 6-amino-4-bromo-5-(difluoromethyl)pyridine-2-carboxylate is sourced from PubChem (CID 134658929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).