ethyl 5-amino-3-bromo-6-(difluoromethyl)pyridine-2-carboxylate

C9H9BrF2N2O2 — CID 134658559

IUPACethyl 5-amino-3-bromo-6-(difluoromethyl)pyridine-2-carboxylate
SMILESCCOC(=O)c1nc(C(F)F)c(N)cc1Br
InChIInChI=1S/C9H9BrF2N2O2/c1-2-16-9(15)6-4(10)3-5(13)7(14-6)8(11)12/h3,8H,2,13H2,1H3
InChIKeyINXMQJWCQGGMKZ-UHFFFAOYSA-N
MW295.08 g/mol
LogP2.54
Rot. Bonds3

About ethyl 5-amino-3-bromo-6-(difluoromethyl)pyridine-2-carboxylate

ethyl 5-amino-3-bromo-6-(difluoromethyl)pyridine-2-carboxylate (PubChem CID 134658559) has the molecular formula C9H9BrF2N2O2 and a molecular weight of 295.08 g/mol. Its IUPAC name is ethyl 5-amino-3-bromo-6-(difluoromethyl)pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-amino-3-bromo-6-(difluoromethyl)pyridine-2-carboxylate
PubChem CID134658559
Molecular FormulaC9H9BrF2N2O2
Molecular Weight295.08 g/mol
Exact Mass293.98
IUPAC Nameethyl 5-amino-3-bromo-6-(difluoromethyl)pyridine-2-carboxylate
SMILESCCOC(=O)c1nc(C(F)F)c(N)cc1Br
InChIInChI=1S/C9H9BrF2N2O2/c1-2-16-9(15)6-4(10)3-5(13)7(14-6)8(11)12/h3,8H,2,13H2,1H3
InChIKeyINXMQJWCQGGMKZ-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 3-bromo-6-(difluoromethyl)-5-hydroxypyridine-2-carboxylate
CID 134670794
ethyl 3-bromo-5-(chloromethyl)-6-(difluoromethyl)pyridine-2-carboxylate
CID 134685236
ethyl 3-bromo-5-(difluoromethyl)-6-fluoropyridine-2-carboxylate
CID 134674901
ethyl 3-amino-6-(difluoromethyl)-5-(trifluoromethyl)pyridine-2-carboxylate
CID 134684036
ethyl 4-amino-6-bromo-3-(difluoromethyl)pyridine-2-carboxylate
CID 134684567
ethyl 4-amino-3-bromo-6-(difluoromethyl)pyridine-2-carboxylate
CID 134669270
ethyl 3-(bromomethyl)-6-(difluoromethyl)-5-iodopyridine-2-carboxylate
CID 133100576
ethyl 2-[6-amino-5-bromo-2-(difluoromethyl)-3-pyridinyl]acetate
CID 134658560
ethyl 2-bromo-6-(difluoromethyl)-5-hydroxypyridine-3-carboxylate
CID 134684348
ethyl 4,6-diamino-2-(difluoromethyl)pyridine-3-carboxylate
CID 134684313
ethyl 5-chloro-6-(difluoromethyl)-3-iodopyridine-2-carboxylate
CID 134677140
ethyl 5-amino-2-(difluoromethyl)-6-methoxypyridine-3-carboxylate
CID 134683234

Frequently Asked Questions

What is the IUPAC name of ethyl 5-amino-3-bromo-6-(difluoromethyl)pyridine-2-carboxylate?
The IUPAC name of ethyl 5-amino-3-bromo-6-(difluoromethyl)pyridine-2-carboxylate (CID 134658559) is ethyl 5-amino-3-bromo-6-(difluoromethyl)pyridine-2-carboxylate.
What is the SMILES notation for ethyl 5-amino-3-bromo-6-(difluoromethyl)pyridine-2-carboxylate?
The canonical SMILES for ethyl 5-amino-3-bromo-6-(difluoromethyl)pyridine-2-carboxylate is CCOC(=O)c1nc(C(F)F)c(N)cc1Br.
What is the InChIKey of ethyl 5-amino-3-bromo-6-(difluoromethyl)pyridine-2-carboxylate?
The InChIKey is INXMQJWCQGGMKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrF2N2O2/c1-2-16-9(15)6-4(10)3-5(13)7(14-6)8(11)12/h3,8H,2,13H2,1H3.
What are the key properties of ethyl 5-amino-3-bromo-6-(difluoromethyl)pyridine-2-carboxylate?
ethyl 5-amino-3-bromo-6-(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 5-amino-3-bromo-6-(difluoromethyl)pyridine-2-carboxylate is sourced from PubChem (CID 134658559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).