ethyl 4-amino-6-bromo-3-(difluoromethyl)pyridine-2-carboxylate

C9H9BrF2N2O2 — CID 134684567

IUPACethyl 4-amino-6-bromo-3-(difluoromethyl)pyridine-2-carboxylate
SMILESCCOC(=O)c1nc(Br)cc(N)c1C(F)F
InChIInChI=1S/C9H9BrF2N2O2/c1-2-16-9(15)7-6(8(11)12)4(13)3-5(10)14-7/h3,8H,2H2,1H3,(H2,13,14)
InChIKeyPAQYJWXFFBWRNK-UHFFFAOYSA-N
MW295.08 g/mol
LogP2.54
Rot. Bonds3

About ethyl 4-amino-6-bromo-3-(difluoromethyl)pyridine-2-carboxylate

ethyl 4-amino-6-bromo-3-(difluoromethyl)pyridine-2-carboxylate (PubChem CID 134684567) has the molecular formula C9H9BrF2N2O2 and a molecular weight of 295.08 g/mol. Its IUPAC name is ethyl 4-amino-6-bromo-3-(difluoromethyl)pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-amino-6-bromo-3-(difluoromethyl)pyridine-2-carboxylate
PubChem CID134684567
Molecular FormulaC9H9BrF2N2O2
Molecular Weight295.08 g/mol
Exact Mass293.98
IUPAC Nameethyl 4-amino-6-bromo-3-(difluoromethyl)pyridine-2-carboxylate
SMILESCCOC(=O)c1nc(Br)cc(N)c1C(F)F
InChIInChI=1S/C9H9BrF2N2O2/c1-2-16-9(15)7-6(8(11)12)4(13)3-5(10)14-7/h3,8H,2H2,1H3,(H2,13,14)
InChIKeyPAQYJWXFFBWRNK-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

ethyl 6-bromo-3-(difluoromethyl)-4-nitropyridine-2-carboxylate
CID 134675368
ethyl 6-bromo-4-(difluoromethyl)-3-methoxypyridine-2-carboxylate
CID 134671675
ethyl 4-amino-3-bromo-6-(difluoromethyl)pyridine-2-carboxylate
CID 134669270
ethyl 5-amino-3-bromo-6-(difluoromethyl)pyridine-2-carboxylate
CID 134658559
ethyl 6-amino-4-bromo-5-(difluoromethyl)pyridine-2-carboxylate
CID 134658929
ethyl 5-amino-4-(difluoromethyl)-3-fluoropyridine-2-carboxylate
CID 134675966
methyl 6-bromo-4-chloro-3-(difluoromethyl)pyridine-2-carboxylate
CID 130108301
ethyl 3-bromo-6-(difluoromethyl)-5-hydroxypyridine-2-carboxylate
CID 134670794
ethyl 3-bromo-5-(difluoromethyl)-6-fluoropyridine-2-carboxylate
CID 134674901
ethyl 3-amino-6-(difluoromethyl)-5-(trifluoromethyl)pyridine-2-carboxylate
CID 134684036
ethyl 3,6-dibromopyridine-2-carboxylate
CID 46311333
ethyl 6-amino-5-(difluoromethyl)-3-fluoropyridine-2-carboxylate
CID 134664601

Frequently Asked Questions

What is the IUPAC name of ethyl 4-amino-6-bromo-3-(difluoromethyl)pyridine-2-carboxylate?
The IUPAC name of ethyl 4-amino-6-bromo-3-(difluoromethyl)pyridine-2-carboxylate (CID 134684567) is ethyl 4-amino-6-bromo-3-(difluoromethyl)pyridine-2-carboxylate.
What is the SMILES notation for ethyl 4-amino-6-bromo-3-(difluoromethyl)pyridine-2-carboxylate?
The canonical SMILES for ethyl 4-amino-6-bromo-3-(difluoromethyl)pyridine-2-carboxylate is CCOC(=O)c1nc(Br)cc(N)c1C(F)F.
What is the InChIKey of ethyl 4-amino-6-bromo-3-(difluoromethyl)pyridine-2-carboxylate?
The InChIKey is PAQYJWXFFBWRNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrF2N2O2/c1-2-16-9(15)7-6(8(11)12)4(13)3-5(10)14-7/h3,8H,2H2,1H3,(H2,13,14).
What are the key properties of ethyl 4-amino-6-bromo-3-(difluoromethyl)pyridine-2-carboxylate?
ethyl 4-amino-6-bromo-3-(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 4-amino-6-bromo-3-(difluoromethyl)pyridine-2-carboxylate is sourced from PubChem (CID 134684567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).