8-bromo-2-[3-(trifluoromethyl)phenyl]-4H-pyrido[4,3-d][1,3]oxazine

C14H8BrF3N2O — CID 90695721

IUPAC8-bromo-2-[3-(trifluoromethyl)phenyl]-4H-pyrido[4,3-d][1,3]oxazine
SMILESFC(F)(F)c1cccc(C2=Nc3c(Br)cncc3CO2)c1
InChIInChI=1S/C14H8BrF3N2O/c15-11-6-19-5-9-7-21-13(20-12(9)11)8-2-1-3-10(4-8)14(16,17)18/h1-6H,7H2
InChIKeyMOTNZKWWRDXFKW-UHFFFAOYSA-N
MW357.13 g/mol
LogP4.47
Rot. Bonds1

About 8-bromo-2-[3-(trifluoromethyl)phenyl]-4H-pyrido[4,3-d][1,3]oxazine

8-bromo-2-[3-(trifluoromethyl)phenyl]-4H-pyrido[4,3-d][1,3]oxazine (PubChem CID 90695721) has the molecular formula C14H8BrF3N2O and a molecular weight of 357.13 g/mol. Its IUPAC name is 8-bromo-2-[3-(trifluoromethyl)phenyl]-4H-pyrido[4,3-d][1,3]oxazine.

Molecular Properties

Compound Name8-bromo-2-[3-(trifluoromethyl)phenyl]-4H-pyrido[4,3-d][1,3]oxazine
PubChem CID90695721
Molecular FormulaC14H8BrF3N2O
Molecular Weight357.13 g/mol
Exact Mass355.98
IUPAC Name8-bromo-2-[3-(trifluoromethyl)phenyl]-4H-pyrido[4,3-d][1,3]oxazine
SMILESFC(F)(F)c1cccc(C2=Nc3c(Br)cncc3CO2)c1
InChIInChI=1S/C14H8BrF3N2O/c15-11-6-19-5-9-7-21-13(20-12(9)11)8-2-1-3-10(4-8)14(16,17)18/h1-6H,7H2
InChIKeyMOTNZKWWRDXFKW-UHFFFAOYSA-N
XLogP4.47
TPSA34.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.13
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole
CID 67984069
4-bromo-5-[3-(trifluoromethyl)phenyl]-1H-pyrazole
CID 61394933
5-[3-(trifluoromethyl)phenyl]pyridine-3-carbaldehyde
CID 24729811
4-bromo-5-[3-(trifluoromethyl)phenyl]-1,2-oxazol-3-amine
CID 79557110
3,4-dimethylidene-5-[3-(trifluoromethyl)phenyl]pyridine
CID 91219654
2-[3-(trifluoromethyl)phenyl]-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-6-amine
CID 115066299
[5-[3-(trifluoromethyl)phenyl]-3-pyridinyl]methanol
CID 24729851
3-[3-(trifluoromethyl)phenyl]-2,5-dihydro-1H-1,2,4-triazin-6-one
CID 13365874
ethane;propane-2-thiol;5-[3-(trifluoromethyl)phenyl]pyridine-3-carbaldehyde
CID 143531112
2-[3-(trifluoromethyl)phenyl]-3a,4,5,6,7,7a-hexahydro-[1,3]oxazolo[4,5-c]pyridine
CID 115065495
3-[3-(trifluoromethyl)phenyl]pyridine-2-carbaldehyde
CID 134621665
4-bromo-7-(trifluoromethyl)isoquinoline
CID 131699987

Frequently Asked Questions

What is the IUPAC name of 8-bromo-2-[3-(trifluoromethyl)phenyl]-4H-pyrido[4,3-d][1,3]oxazine?
The IUPAC name of 8-bromo-2-[3-(trifluoromethyl)phenyl]-4H-pyrido[4,3-d][1,3]oxazine (CID 90695721) is 8-bromo-2-[3-(trifluoromethyl)phenyl]-4H-pyrido[4,3-d][1,3]oxazine.
What is the SMILES notation for 8-bromo-2-[3-(trifluoromethyl)phenyl]-4H-pyrido[4,3-d][1,3]oxazine?
The canonical SMILES for 8-bromo-2-[3-(trifluoromethyl)phenyl]-4H-pyrido[4,3-d][1,3]oxazine is FC(F)(F)c1cccc(C2=Nc3c(Br)cncc3CO2)c1.
What is the InChIKey of 8-bromo-2-[3-(trifluoromethyl)phenyl]-4H-pyrido[4,3-d][1,3]oxazine?
The InChIKey is MOTNZKWWRDXFKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrF3N2O/c15-11-6-19-5-9-7-21-13(20-12(9)11)8-2-1-3-10(4-8)14(16,17)18/h1-6H,7H2.
What are the key properties of 8-bromo-2-[3-(trifluoromethyl)phenyl]-4H-pyrido[4,3-d][1,3]oxazine?
8-bromo-2-[3-(trifluoromethyl)phenyl]-4H-pyrido[4,3-d][1,3]oxazine has a molecular weight of 357.13 g/mol, XLogP of 4.47, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-2-[3-(trifluoromethyl)phenyl]-4H-pyrido[4,3-d][1,3]oxazine is sourced from PubChem (CID 90695721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).