7-bromo-4-pyridin-2-yl-2,3-dihydro-1,4-benzoxazine

C13H11BrN2O — CID 134282335

IUPAC7-bromo-4-pyridin-2-yl-2,3-dihydro-1,4-benzoxazine
SMILESBrc1ccc2c(c1)OCCN2c1ccccn1
InChIInChI=1S/C13H11BrN2O/c14-10-4-5-11-12(9-10)17-8-7-16(11)13-3-1-2-6-15-13/h1-6,9H,7-8H2
InChIKeyPOSMJRFNFQADAY-UHFFFAOYSA-N
MW291.15 g/mol
LogP3.37
Rot. Bonds1

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

7-bromo-4-pyridin-2-yl-2,3-dihydro-1,4-benzoxazine (PubChem CID 134282335) has the molecular formula C13H11BrN2O and a molecular weight of 291.15 g/mol. Its IUPAC name is 7-bromo-4-pyridin-2-yl-2,3-dihydro-1,4-benzoxazine.

Molecular Properties

Compound Name7-bromo-4-pyridin-2-yl-2,3-dihydro-1,4-benzoxazine
PubChem CID134282335
Molecular FormulaC13H11BrN2O
Molecular Weight291.15 g/mol
Exact Mass290.01
IUPAC Name7-bromo-4-pyridin-2-yl-2,3-dihydro-1,4-benzoxazine
SMILESBrc1ccc2c(c1)OCCN2c1ccccn1
InChIInChI=1S/C13H11BrN2O/c14-10-4-5-11-12(9-10)17-8-7-16(11)13-3-1-2-6-15-13/h1-6,9H,7-8H2
InChIKeyPOSMJRFNFQADAY-UHFFFAOYSA-N
XLogP3.37
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.15
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-4-pyridin-2-yl-2,3-dihydro-1,4-benzoxazine?
The IUPAC name of 7-bromo-4-pyridin-2-yl-2,3-dihydro-1,4-benzoxazine (CID 134282335) is 7-bromo-4-pyridin-2-yl-2,3-dihydro-1,4-benzoxazine.
What is the SMILES notation for 7-bromo-4-pyridin-2-yl-2,3-dihydro-1,4-benzoxazine?
The canonical SMILES for 7-bromo-4-pyridin-2-yl-2,3-dihydro-1,4-benzoxazine is Brc1ccc2c(c1)OCCN2c1ccccn1.
What is the InChIKey of 7-bromo-4-pyridin-2-yl-2,3-dihydro-1,4-benzoxazine?
The InChIKey is POSMJRFNFQADAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN2O/c14-10-4-5-11-12(9-10)17-8-7-16(11)13-3-1-2-6-15-13/h1-6,9H,7-8H2.
What are the key properties of 7-bromo-4-pyridin-2-yl-2,3-dihydro-1,4-benzoxazine?
7-bromo-4-pyridin-2-yl-2,3-dihydro-1,4-benzoxazine has a molecular weight of 291.15 g/mol, XLogP of 3.37, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-4-pyridin-2-yl-2,3-dihydro-1,4-benzoxazine is sourced from PubChem (CID 134282335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).