[5-[5-amino-3-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]-2,4-difluorophenyl]azanide;3-bromopyridine

C16H14BrF4N4O- — CID 158221883

IUPAC[5-[5-amino-3-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]-2,4-difluorophenyl]azanide;3-bromopyridine
SMILESBrc1cccnc1.[NH-]c1cc(C2(C(F)F)COCC(N)=N2)c(F)cc1F
InChIInChI=1S/C11H10F4N3O.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/h1-2,10,16H,3-4H2,(H2,17,18);1-4H/q-1;
InChIKeyGDILVMVNRFNXHT-UHFFFAOYSA-N
MW434.21 g/mol
LogP4.34
Rot. Bonds2

About [5-[5-amino-3-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]-2,4-difluorophenyl]azanide;3-bromopyridine

[5-[5-amino-3-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]-2,4-difluorophenyl]azanide;3-bromopyridine (PubChem CID 158221883) has the molecular formula C16H14BrF4N4O- and a molecular weight of 434.21 g/mol. Its IUPAC name is [5-[5-amino-3-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]-2,4-difluorophenyl]azanide;3-bromopyridine.

Molecular Properties

Compound Name[5-[5-amino-3-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]-2,4-difluorophenyl]azanide;3-bromopyridine
PubChem CID158221883
Molecular FormulaC16H14BrF4N4O-
Molecular Weight434.21 g/mol
Exact Mass433.03
IUPAC Name[5-[5-amino-3-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]-2,4-difluorophenyl]azanide;3-bromopyridine
SMILESBrc1cccnc1.[NH-]c1cc(C2(C(F)F)COCC(N)=N2)c(F)cc1F
InChIInChI=1S/C11H10F4N3O.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/h1-2,10,16H,3-4H2,(H2,17,18);1-4H/q-1;
InChIKeyGDILVMVNRFNXHT-UHFFFAOYSA-N
XLogP4.34
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.21
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(5-amino-2,4-difluorophenyl)-5-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-amine;3-bromopyridine
CID 171932154
5-(difluoromethyl)-5-(2-fluoro-5-nitrophenyl)-2,6-dihydro-1,4-oxazin-3-amine
CID 66665494
3-[(3S)-5-amino-3-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorobenzamide;hydrochloride
CID 67979246
5-(5-amino-2-fluorophenyl)-5-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-amine;3-chloro-5-(trifluoromethyl)pyridine
CID 171927170
[3-[5-amino-3-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]azanide;3-chloro-5-(methoxymethyl)pyridine
CID 157052701
[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
5-(5-amino-2-fluorophenyl)-5-(difluoromethyl)-6,7-dihydro-2H-1,4-oxazepin-3-amine
CID 67979131
N-[3-[(3R)-5-amino-3-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]-5-methylpyrazine-2-carboxamide
CID 50914687
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-[5-amino-3-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide
CID 66666231
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

Frequently Asked Questions

What is the IUPAC name of [5-[5-amino-3-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]-2,4-difluorophenyl]azanide;3-bromopyridine?
The IUPAC name of [5-[5-amino-3-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]-2,4-difluorophenyl]azanide;3-bromopyridine (CID 158221883) is [5-[5-amino-3-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]-2,4-difluorophenyl]azanide;3-bromopyridine.
What is the SMILES notation for [5-[5-amino-3-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]-2,4-difluorophenyl]azanide;3-bromopyridine?
The canonical SMILES for [5-[5-amino-3-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]-2,4-difluorophenyl]azanide;3-bromopyridine is Brc1cccnc1.[NH-]c1cc(C2(C(F)F)COCC(N)=N2)c(F)cc1F.
What is the InChIKey of [5-[5-amino-3-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]-2,4-difluorophenyl]azanide;3-bromopyridine?
The InChIKey is GDILVMVNRFNXHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F4N3O.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/h1-2,10,16H,3-4H2,(H2,17,18);1-4H/q-1;.
What are the key properties of [5-[5-amino-3-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]-2,4-difluorophenyl]azanide;3-bromopyridine?
[5-[5-amino-3-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]-2,4-difluorophenyl]azanide;3-bromopyridine has a molecular weight of 434.21 g/mol, XLogP of 4.34, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[5-amino-3-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]-2,4-difluorophenyl]azanide;3-bromopyridine is sourced from PubChem (CID 158221883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).