5-(5-amino-2,4-difluorophenyl)-5-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-amine;3-bromopyridine

C16H15BrF4N4O — CID 171932154

IUPAC5-(5-amino-2,4-difluorophenyl)-5-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-amine;3-bromopyridine
SMILESBrc1cccnc1.NC1=NC(c2cc(N)c(F)cc2F)(C(F)F)COC1
InChIInChI=1S/C11H11F4N3O.C5H4BrN/c12-6-2-7(13)8(16)1-5(6)11(10(14)15)4-19-3-9(17)18-11;6-5-2-1-3-7-4-5/h1-2,10H,3-4,16H2,(H2,17,18);1-4H
InChIKeyTUIAXIZEBXHMOG-UHFFFAOYSA-N
MW435.22 g/mol
LogP3.24
Rot. Bonds2

About 5-(5-amino-2,4-difluorophenyl)-5-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-amine;3-bromopyridine

5-(5-amino-2,4-difluorophenyl)-5-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-amine;3-bromopyridine (PubChem CID 171932154) has the molecular formula C16H15BrF4N4O and a molecular weight of 435.22 g/mol. Its IUPAC name is 5-(5-amino-2,4-difluorophenyl)-5-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-amine;3-bromopyridine.

Molecular Properties

Compound Name5-(5-amino-2,4-difluorophenyl)-5-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-amine;3-bromopyridine
PubChem CID171932154
Molecular FormulaC16H15BrF4N4O
Molecular Weight435.22 g/mol
Exact Mass434.04
IUPAC Name5-(5-amino-2,4-difluorophenyl)-5-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-amine;3-bromopyridine
SMILESBrc1cccnc1.NC1=NC(c2cc(N)c(F)cc2F)(C(F)F)COC1
InChIInChI=1S/C11H11F4N3O.C5H4BrN/c12-6-2-7(13)8(16)1-5(6)11(10(14)15)4-19-3-9(17)18-11;6-5-2-1-3-7-4-5/h1-2,10H,3-4,16H2,(H2,17,18);1-4H
InChIKeyTUIAXIZEBXHMOG-UHFFFAOYSA-N
XLogP3.24
TPSA86.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.22
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

[5-[5-amino-3-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]-2,4-difluorophenyl]azanide;3-bromopyridine
CID 158221883
3-[(3S)-5-amino-3-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorobenzamide;hydrochloride
CID 67979246
5-(difluoromethyl)-5-(2-fluoro-5-nitrophenyl)-2,6-dihydro-1,4-oxazin-3-amine
CID 66665494
5-(5-amino-2-fluorophenyl)-5-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-amine;3-chloro-5-(trifluoromethyl)pyridine
CID 171927170
5-(5-amino-2-fluorophenyl)-5-(difluoromethyl)-6,7-dihydro-2H-1,4-oxazepin-3-amine
CID 67979131
[3-[5-amino-3-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]azanide;3-chloro-5-(methoxymethyl)pyridine
CID 157052701
5-amino-6-[2-[3-[(3R)-5-amino-3-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]acetyl]pyridine-3-carbonitrile
CID 161202676
2-[3-[(3R)-5-amino-3-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]-1-(5-chloropyrazin-2-yl)ethanone
CID 58118845
N-[3-[(3R)-5-amino-3-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]-5-methylpyrazine-2-carboxamide
CID 50914687
N-[3-[5-amino-3-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide
CID 66666231
[3-[(5S)-3-amino-5-(difluoromethyl)-6,7-dihydro-2H-1,4-oxazepin-5-yl]-4-fluorophenyl]azanide
CID 154495850
[3-[(3R)-5-amino-3-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]-4-fluoro-5-methylphenyl]azanide;pyridine-2-carboxylic acid
CID 158839894

Frequently Asked Questions

What is the IUPAC name of 5-(5-amino-2,4-difluorophenyl)-5-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-amine;3-bromopyridine?
The IUPAC name of 5-(5-amino-2,4-difluorophenyl)-5-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-amine;3-bromopyridine (CID 171932154) is 5-(5-amino-2,4-difluorophenyl)-5-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-amine;3-bromopyridine.
What is the SMILES notation for 5-(5-amino-2,4-difluorophenyl)-5-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-amine;3-bromopyridine?
The canonical SMILES for 5-(5-amino-2,4-difluorophenyl)-5-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-amine;3-bromopyridine is Brc1cccnc1.NC1=NC(c2cc(N)c(F)cc2F)(C(F)F)COC1.
What is the InChIKey of 5-(5-amino-2,4-difluorophenyl)-5-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-amine;3-bromopyridine?
The InChIKey is TUIAXIZEBXHMOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F4N3O.C5H4BrN/c12-6-2-7(13)8(16)1-5(6)11(10(14)15)4-19-3-9(17)18-11;6-5-2-1-3-7-4-5/h1-2,10H,3-4,16H2,(H2,17,18);1-4H.
What are the key properties of 5-(5-amino-2,4-difluorophenyl)-5-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-amine;3-bromopyridine?
5-(5-amino-2,4-difluorophenyl)-5-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-amine;3-bromopyridine has a molecular weight of 435.22 g/mol, XLogP of 3.24, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-amino-2,4-difluorophenyl)-5-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-amine;3-bromopyridine is sourced from PubChem (CID 171932154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).