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

C13H12N2O — CID 90715593

IUPAC4-pyridin-3-yl-2,3-dihydro-1,4-benzoxazine
SMILESc1cncc(N2CCOc3ccccc32)c1
InChIInChI=1S/C13H12N2O/c1-2-6-13-12(5-1)15(8-9-16-13)11-4-3-7-14-10-11/h1-7,10H,8-9H2
InChIKeyZBYJZPZMDHNWMW-UHFFFAOYSA-N
MW212.25 g/mol
LogP2.61
Rot. Bonds1

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

4-pyridin-3-yl-2,3-dihydro-1,4-benzoxazine (PubChem CID 90715593) has the molecular formula C13H12N2O and a molecular weight of 212.25 g/mol. Its IUPAC name is 4-pyridin-3-yl-2,3-dihydro-1,4-benzoxazine.

Molecular Properties

Compound Name4-pyridin-3-yl-2,3-dihydro-1,4-benzoxazine
PubChem CID90715593
Molecular FormulaC13H12N2O
Molecular Weight212.25 g/mol
Exact Mass212.09
IUPAC Name4-pyridin-3-yl-2,3-dihydro-1,4-benzoxazine
SMILESc1cncc(N2CCOc3ccccc32)c1
InChIInChI=1S/C13H12N2O/c1-2-6-13-12(5-1)15(8-9-16-13)11-4-3-7-14-10-11/h1-7,10H,8-9H2
InChIKeyZBYJZPZMDHNWMW-UHFFFAOYSA-N
XLogP2.61
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-chlorophenyl)-2,3-dihydro-1,4-benzoxazine
CID 117007469
4-(3-bromophenyl)-2,3-dihydro-1,4-benzoxazine
CID 117007491
(3S)-3-[(4-pyridin-3-yl-2,3-dihydro-1,4-benzoxazin-6-yl)oxy]pyrrolidine-1-carbaldehyde
CID 130445091
4-(3-morpholin-4-ylphenyl)-2,3-dihydro-1,4-benzoxazine
CID 174643080
2-(2,3-dihydro-1,4-benzoxazin-4-yl)aniline
CID 82391483
4-(2-chlorophenyl)-2,3-dihydro-1,4-benzoxazine
CID 117007468
3-(2-phenyl-4,5-dihydroimidazol-1-yl)pyridine
CID 71659870
4-(3-nitrophenyl)-2,3-dihydro-1,4-benzoxazine
CID 59199731
7-methyl-4-phenyl-2,3-dihydro-1,4-benzoxazine
CID 58184388
4-(3-chloro-2-methylphenyl)-2,3-dihydro-1,4-benzoxazine
CID 117007471
6-(methylamino)-4-pyridin-3-yl-1,4-oxazepan-5-one
CID 20590175
6-(2,3-dihydro-1,4-benzoxazin-4-yl)pyridazine-4-carboxylic acid
CID 117102852

Frequently Asked Questions

What is the IUPAC name of 4-pyridin-3-yl-2,3-dihydro-1,4-benzoxazine?
The IUPAC name of 4-pyridin-3-yl-2,3-dihydro-1,4-benzoxazine (CID 90715593) is 4-pyridin-3-yl-2,3-dihydro-1,4-benzoxazine.
What is the SMILES notation for 4-pyridin-3-yl-2,3-dihydro-1,4-benzoxazine?
The canonical SMILES for 4-pyridin-3-yl-2,3-dihydro-1,4-benzoxazine is c1cncc(N2CCOc3ccccc32)c1.
What is the InChIKey of 4-pyridin-3-yl-2,3-dihydro-1,4-benzoxazine?
The InChIKey is ZBYJZPZMDHNWMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O/c1-2-6-13-12(5-1)15(8-9-16-13)11-4-3-7-14-10-11/h1-7,10H,8-9H2.
What are the key properties of 4-pyridin-3-yl-2,3-dihydro-1,4-benzoxazine?
4-pyridin-3-yl-2,3-dihydro-1,4-benzoxazine has a molecular weight of 212.25 g/mol, XLogP of 2.61, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyridin-3-yl-2,3-dihydro-1,4-benzoxazine is sourced from PubChem (CID 90715593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).