2-pyridin-3-yl-1,2-dihydro-3,1-benzoxazin-4-one

C13H10N2O2 — CID 90480716

IUPAC2-pyridin-3-yl-1,2-dihydro-3,1-benzoxazin-4-one
SMILESO=C1OC(c2cccnc2)Nc2ccccc21
InChIInChI=1S/C13H10N2O2/c16-13-10-5-1-2-6-11(10)15-12(17-13)9-4-3-7-14-8-9/h1-8,12,15H
InChIKeyJWNJVBPDXWUTSZ-UHFFFAOYSA-N
MW226.24 g/mol
LogP2.36
Rot. Bonds1

About 2-pyridin-3-yl-1,2-dihydro-3,1-benzoxazin-4-one

2-pyridin-3-yl-1,2-dihydro-3,1-benzoxazin-4-one (PubChem CID 90480716) has the molecular formula C13H10N2O2 and a molecular weight of 226.24 g/mol. Its IUPAC name is 2-pyridin-3-yl-1,2-dihydro-3,1-benzoxazin-4-one.

Molecular Properties

Compound Name2-pyridin-3-yl-1,2-dihydro-3,1-benzoxazin-4-one
PubChem CID90480716
Molecular FormulaC13H10N2O2
Molecular Weight226.24 g/mol
Exact Mass226.07
IUPAC Name2-pyridin-3-yl-1,2-dihydro-3,1-benzoxazin-4-one
SMILESO=C1OC(c2cccnc2)Nc2ccccc21
InChIInChI=1S/C13H10N2O2/c16-13-10-5-1-2-6-11(10)15-12(17-13)9-4-3-7-14-8-9/h1-8,12,15H
InChIKeyJWNJVBPDXWUTSZ-UHFFFAOYSA-N
XLogP2.36
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-pyridin-3-yl-2,4-dihydro-1H-3,1-benzoxazine
CID 14893331
3-oxido-2-pyridin-3-yl-1,2-dihydroquinazolin-4-one
CID 3447673
(2S)-4,4-diethyl-2-pyridin-3-yl-1,2-dihydro-3,1-benzoxazine
CID 668641
(6S)-3-pentylsulfanyl-6-pyridin-3-yl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine
CID 6567604
(6S)-3-[(2-chlorophenyl)methylsulfanyl]-6-pyridin-3-yl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine
CID 6403590
(3R)-3-pyridin-3-yl-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 129404885
4-methyl-5-phenyl-2-pyridin-3-yl-1,3-oxazolidine
CID 584280
2-pyridin-3-yl-2,3-dihydro-1,3-oxazole
CID 173212997
2,3,4,5,6-pentafluoro-N-(2-pyridin-3-yl-2,3-dihydro-1,3-benzoxazol-5-yl)benzamide
CID 4274346
4-chloro-5-pyridin-3-yl-5,6-dihydrobenzo[c][2,7]naphthyridine
CID 10402159
(2R)-3-(3-methoxypropyl)-2-pyridin-3-yl-1,2-dihydroquinazolin-4-one
CID 95167759
11-pyridin-3-yl-5,11-dihydroindeno[2,1-c][1,5]benzothiazepin-12-one
CID 3152568

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-3-yl-1,2-dihydro-3,1-benzoxazin-4-one?
The IUPAC name of 2-pyridin-3-yl-1,2-dihydro-3,1-benzoxazin-4-one (CID 90480716) is 2-pyridin-3-yl-1,2-dihydro-3,1-benzoxazin-4-one.
What is the SMILES notation for 2-pyridin-3-yl-1,2-dihydro-3,1-benzoxazin-4-one?
The canonical SMILES for 2-pyridin-3-yl-1,2-dihydro-3,1-benzoxazin-4-one is O=C1OC(c2cccnc2)Nc2ccccc21.
What is the InChIKey of 2-pyridin-3-yl-1,2-dihydro-3,1-benzoxazin-4-one?
The InChIKey is JWNJVBPDXWUTSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O2/c16-13-10-5-1-2-6-11(10)15-12(17-13)9-4-3-7-14-8-9/h1-8,12,15H.
What are the key properties of 2-pyridin-3-yl-1,2-dihydro-3,1-benzoxazin-4-one?
2-pyridin-3-yl-1,2-dihydro-3,1-benzoxazin-4-one has a molecular weight of 226.24 g/mol, XLogP of 2.36, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-3-yl-1,2-dihydro-3,1-benzoxazin-4-one is sourced from PubChem (CID 90480716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).