4-pyridin-2-yl-6H-pyrido[1,2-c][1,3]benzoxazin-7-ium

C17H13N2O+ — CID 22968653

IUPAC4-pyridin-2-yl-6H-pyrido[1,2-c][1,3]benzoxazin-7-ium
SMILESc1ccc(-c2cccc3c2OC[n+]2ccccc2-3)nc1
InChIInChI=1S/C17H13N2O/c1-3-10-18-15(8-1)13-6-5-7-14-16-9-2-4-11-19(16)12-20-17(13)14/h1-11H,12H2/q+1
InChIKeyUGNZIQYKVXBVKC-UHFFFAOYSA-N
MW261.30 g/mol
LogP3.05
Rot. Bonds1

About 4-pyridin-2-yl-6H-pyrido[1,2-c][1,3]benzoxazin-7-ium

4-pyridin-2-yl-6H-pyrido[1,2-c][1,3]benzoxazin-7-ium (PubChem CID 22968653) has the molecular formula C17H13N2O+ and a molecular weight of 261.30 g/mol. Its IUPAC name is 4-pyridin-2-yl-6H-pyrido[1,2-c][1,3]benzoxazin-7-ium.

Molecular Properties

Compound Name4-pyridin-2-yl-6H-pyrido[1,2-c][1,3]benzoxazin-7-ium
PubChem CID22968653
Molecular FormulaC17H13N2O+
Molecular Weight261.30 g/mol
Exact Mass261.10
IUPAC Name4-pyridin-2-yl-6H-pyrido[1,2-c][1,3]benzoxazin-7-ium
SMILESc1ccc(-c2cccc3c2OC[n+]2ccccc2-3)nc1
InChIInChI=1S/C17H13N2O/c1-3-10-18-15(8-1)13-6-5-7-14-16-9-2-4-11-19(16)12-20-17(13)14/h1-11H,12H2/q+1
InChIKeyUGNZIQYKVXBVKC-UHFFFAOYSA-N
XLogP3.05
TPSA26.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

1-methyl-2-(8-pyridin-2-ylnaphthalen-1-yl)pyridin-1-ium
CID 10574322
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CID 175876654
2-[2-[2-(2-pyridin-2-ylphenyl)ethenyl]phenyl]pyridine
CID 154584408
cesium 2,6-dipyridin-2-ylphenolate
CID 59522981
2-(2,2,3,3-tetramethyl-1-benzofuran-7-yl)pyridine
CID 140899415
2-[2-(furan-2-yl)phenyl]pyridine
CID 168525808
1-pyridin-2-ylphenazine
CID 57231896
1-pyridin-2-ylquinolizin-5-ium hexafluorophosphate
CID 11975219
2-pyridin-2-ylphenol;hydrate
CID 175244966
2-(2-methylphenyl)pyridine
CID 144596153
8-pyridin-2-ylquinoline
CID 10982041
tris(2-pyridin-2-ylpyridine);ruthenium
CID 6100643

Frequently Asked Questions

What is the IUPAC name of 4-pyridin-2-yl-6H-pyrido[1,2-c][1,3]benzoxazin-7-ium?
The IUPAC name of 4-pyridin-2-yl-6H-pyrido[1,2-c][1,3]benzoxazin-7-ium (CID 22968653) is 4-pyridin-2-yl-6H-pyrido[1,2-c][1,3]benzoxazin-7-ium.
What is the SMILES notation for 4-pyridin-2-yl-6H-pyrido[1,2-c][1,3]benzoxazin-7-ium?
The canonical SMILES for 4-pyridin-2-yl-6H-pyrido[1,2-c][1,3]benzoxazin-7-ium is c1ccc(-c2cccc3c2OC[n+]2ccccc2-3)nc1.
What is the InChIKey of 4-pyridin-2-yl-6H-pyrido[1,2-c][1,3]benzoxazin-7-ium?
The InChIKey is UGNZIQYKVXBVKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N2O/c1-3-10-18-15(8-1)13-6-5-7-14-16-9-2-4-11-19(16)12-20-17(13)14/h1-11H,12H2/q+1.
What are the key properties of 4-pyridin-2-yl-6H-pyrido[1,2-c][1,3]benzoxazin-7-ium?
4-pyridin-2-yl-6H-pyrido[1,2-c][1,3]benzoxazin-7-ium has a molecular weight of 261.30 g/mol, XLogP of 3.05, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyridin-2-yl-6H-pyrido[1,2-c][1,3]benzoxazin-7-ium is sourced from PubChem (CID 22968653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).