2-pyridin-3-yl-2,4-dihydro-1H-3,1-benzoxazine

C13H12N2O — CID 14893331

IUPAC2-pyridin-3-yl-2,4-dihydro-1H-3,1-benzoxazine
SMILESc1cncc(C2Nc3ccccc3CO2)c1
InChIInChI=1S/C13H12N2O/c1-2-6-12-11(4-1)9-16-13(15-12)10-5-3-7-14-8-10/h1-8,13,15H,9H2
InChIKeyOTXBKWRXFUQHSL-UHFFFAOYSA-N
MW212.25 g/mol
LogP2.72
Rot. Bonds1

About 2-pyridin-3-yl-2,4-dihydro-1H-3,1-benzoxazine

2-pyridin-3-yl-2,4-dihydro-1H-3,1-benzoxazine (PubChem CID 14893331) has the molecular formula C13H12N2O and a molecular weight of 212.25 g/mol. Its IUPAC name is 2-pyridin-3-yl-2,4-dihydro-1H-3,1-benzoxazine.

Molecular Properties

Compound Name2-pyridin-3-yl-2,4-dihydro-1H-3,1-benzoxazine
PubChem CID14893331
Molecular FormulaC13H12N2O
Molecular Weight212.25 g/mol
Exact Mass212.09
IUPAC Name2-pyridin-3-yl-2,4-dihydro-1H-3,1-benzoxazine
SMILESc1cncc(C2Nc3ccccc3CO2)c1
InChIInChI=1S/C13H12N2O/c1-2-6-12-11(4-1)9-16-13(15-12)10-5-3-7-14-8-10/h1-8,13,15H,9H2
InChIKeyOTXBKWRXFUQHSL-UHFFFAOYSA-N
XLogP2.72
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-pyridin-3-yl-2,4-dihydro-1H-3,1-benzoxazine?
The IUPAC name of 2-pyridin-3-yl-2,4-dihydro-1H-3,1-benzoxazine (CID 14893331) is 2-pyridin-3-yl-2,4-dihydro-1H-3,1-benzoxazine.
What is the SMILES notation for 2-pyridin-3-yl-2,4-dihydro-1H-3,1-benzoxazine?
The canonical SMILES for 2-pyridin-3-yl-2,4-dihydro-1H-3,1-benzoxazine is c1cncc(C2Nc3ccccc3CO2)c1.
What is the InChIKey of 2-pyridin-3-yl-2,4-dihydro-1H-3,1-benzoxazine?
The InChIKey is OTXBKWRXFUQHSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O/c1-2-6-12-11(4-1)9-16-13(15-12)10-5-3-7-14-8-10/h1-8,13,15H,9H2.
What are the key properties of 2-pyridin-3-yl-2,4-dihydro-1H-3,1-benzoxazine?
2-pyridin-3-yl-2,4-dihydro-1H-3,1-benzoxazine has a molecular weight of 212.25 g/mol, XLogP of 2.72, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-3-yl-2,4-dihydro-1H-3,1-benzoxazine is sourced from PubChem (CID 14893331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).