6-bromo-2,2,7-trimethyl-4-pyridin-2-yl-1,3-benzoxazine

C16H15BrN2O — CID 10640221

IUPAC6-bromo-2,2,7-trimethyl-4-pyridin-2-yl-1,3-benzoxazine
SMILESCc1cc2c(cc1Br)C(c1ccccn1)=NC(C)(C)O2
InChIInChI=1S/C16H15BrN2O/c1-10-8-14-11(9-12(10)17)15(19-16(2,3)20-14)13-6-4-5-7-18-13/h4-9H,1-3H3
InChIKeyWJOPMWJPCCXJMJ-UHFFFAOYSA-N
MW331.21 g/mol
LogP4.12
Rot. Bonds1

About 6-bromo-2,2,7-trimethyl-4-pyridin-2-yl-1,3-benzoxazine

6-bromo-2,2,7-trimethyl-4-pyridin-2-yl-1,3-benzoxazine (PubChem CID 10640221) has the molecular formula C16H15BrN2O and a molecular weight of 331.21 g/mol. Its IUPAC name is 6-bromo-2,2,7-trimethyl-4-pyridin-2-yl-1,3-benzoxazine.

Molecular Properties

Compound Name6-bromo-2,2,7-trimethyl-4-pyridin-2-yl-1,3-benzoxazine
PubChem CID10640221
Molecular FormulaC16H15BrN2O
Molecular Weight331.21 g/mol
Exact Mass330.04
IUPAC Name6-bromo-2,2,7-trimethyl-4-pyridin-2-yl-1,3-benzoxazine
SMILESCc1cc2c(cc1Br)C(c1ccccn1)=NC(C)(C)O2
InChIInChI=1S/C16H15BrN2O/c1-10-8-14-11(9-12(10)17)15(19-16(2,3)20-14)13-6-4-5-7-18-13/h4-9H,1-3H3
InChIKeyWJOPMWJPCCXJMJ-UHFFFAOYSA-N
XLogP4.12
TPSA34.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.21
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6,7-dichloro-2,2-dimethyl-4-pyridin-2-yl-1,3-benzoxazine
CID 10709839
2,2-dimethyl-4-pyridin-2-yl-6-(trifluoromethoxy)-1,3-benzoxazine
CID 10710946
tert-butyl N-(2,2-dimethyl-4-pyridin-2-yl-1,3-benzoxazine-6-carbonyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 19735106
2-(2,5-dimethyl-4-pyridin-2-ylphenyl)pyridine
CID 118652406
3,3,7-trimethyl-1-pyridin-2-yl-4H-isoquinoline
CID 163782236
2-(2-methylphenyl)pyridine
CID 144596153
2-(2,4,6-trimethyl-3-pyridin-2-ylphenyl)pyridine
CID 140909024
2-(2,5-dibromo-4-methylphenyl)-5-phenyl-1,3,4-oxadiazole
CID 86008820
4-(3-chloro-2-pyridinyl)-2,2-dimethyl-6-(trifluoromethyl)-1,3-benzoxazine
CID 19735116
2-(4-bromo-5-methyl-5-phenylpyrazol-3-yl)pyridine
CID 102194035
2-(2-methylphenyl)-5-pyridin-2-yl-1,3,4-oxadiazole
CID 15957151
2-(2,4-dimethylphenyl)pyridine;ethane
CID 143636710

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2,2,7-trimethyl-4-pyridin-2-yl-1,3-benzoxazine?
The IUPAC name of 6-bromo-2,2,7-trimethyl-4-pyridin-2-yl-1,3-benzoxazine (CID 10640221) is 6-bromo-2,2,7-trimethyl-4-pyridin-2-yl-1,3-benzoxazine.
What is the SMILES notation for 6-bromo-2,2,7-trimethyl-4-pyridin-2-yl-1,3-benzoxazine?
The canonical SMILES for 6-bromo-2,2,7-trimethyl-4-pyridin-2-yl-1,3-benzoxazine is Cc1cc2c(cc1Br)C(c1ccccn1)=NC(C)(C)O2.
What is the InChIKey of 6-bromo-2,2,7-trimethyl-4-pyridin-2-yl-1,3-benzoxazine?
The InChIKey is WJOPMWJPCCXJMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN2O/c1-10-8-14-11(9-12(10)17)15(19-16(2,3)20-14)13-6-4-5-7-18-13/h4-9H,1-3H3.
What are the key properties of 6-bromo-2,2,7-trimethyl-4-pyridin-2-yl-1,3-benzoxazine?
6-bromo-2,2,7-trimethyl-4-pyridin-2-yl-1,3-benzoxazine has a molecular weight of 331.21 g/mol, XLogP of 4.12, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2,2,7-trimethyl-4-pyridin-2-yl-1,3-benzoxazine is sourced from PubChem (CID 10640221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).