7,8-dinitro-[1,4]benzodioxino[3,2-b]pyridine

C11H5N3O6 — CID 10107435

IUPAC7,8-dinitro-[1,4]benzodioxino[3,2-b]pyridine
SMILESO=[N+]([O-])c1cc2c(cc1[N+](=O)[O-])Oc1ncccc1O2
InChIInChI=1S/C11H5N3O6/c15-13(16)6-4-9-10(5-7(6)14(17)18)20-11-8(19-9)2-1-3-12-11/h1-5H
InChIKeyCDEFHMVGZCOMSD-UHFFFAOYSA-N
MW275.18 g/mol
LogP2.80
Rot. Bonds2

About 7,8-dinitro-[1,4]benzodioxino[3,2-b]pyridine

7,8-dinitro-[1,4]benzodioxino[3,2-b]pyridine (PubChem CID 10107435) has the molecular formula C11H5N3O6 and a molecular weight of 275.18 g/mol. Its IUPAC name is 7,8-dinitro-[1,4]benzodioxino[3,2-b]pyridine.

Molecular Properties

Compound Name7,8-dinitro-[1,4]benzodioxino[3,2-b]pyridine
PubChem CID10107435
Molecular FormulaC11H5N3O6
Molecular Weight275.18 g/mol
Exact Mass275.02
IUPAC Name7,8-dinitro-[1,4]benzodioxino[3,2-b]pyridine
SMILESO=[N+]([O-])c1cc2c(cc1[N+](=O)[O-])Oc1ncccc1O2
InChIInChI=1S/C11H5N3O6/c15-13(16)6-4-9-10(5-7(6)14(17)18)20-11-8(19-9)2-1-3-12-11/h1-5H
InChIKeyCDEFHMVGZCOMSD-UHFFFAOYSA-N
XLogP2.80
TPSA117.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.18
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl 7-nitro-[1,4]benzodioxino[3,2-b]pyridine-8-carboxylate
CID 164562175
2-chloro-3-nitrodibenzo-p-dioxin
CID 13308338
2,3-dinitropyridine;hydrazine
CID 175406944
3-nitro-2-[(3-nitro-2-pyridinyl)trisulfanyl]pyridine
CID 18670954
2-[(3,5-difluorophenyl)methyl]-3-nitropyridine
CID 58459200
6,7-dinitroquinoxaline
CID 2724608
2-nitro-7-oxabicyclo[4.1.0]hepta-1,3,5-triene
CID 21467393
3-nitro-2-nitrosopyridine
CID 140999580
3-chloro-1-nitrodibenzo-p-dioxin
CID 840340
6,8-dinitroquinoline
CID 11106850
9-oxa-2-thia-4,14-diazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene
CID 5323778
N-methyl-3-nitropyridin-2-amine
CID 556349

Frequently Asked Questions

What is the IUPAC name of 7,8-dinitro-[1,4]benzodioxino[3,2-b]pyridine?
The IUPAC name of 7,8-dinitro-[1,4]benzodioxino[3,2-b]pyridine (CID 10107435) is 7,8-dinitro-[1,4]benzodioxino[3,2-b]pyridine.
What is the SMILES notation for 7,8-dinitro-[1,4]benzodioxino[3,2-b]pyridine?
The canonical SMILES for 7,8-dinitro-[1,4]benzodioxino[3,2-b]pyridine is O=[N+]([O-])c1cc2c(cc1[N+](=O)[O-])Oc1ncccc1O2.
What is the InChIKey of 7,8-dinitro-[1,4]benzodioxino[3,2-b]pyridine?
The InChIKey is CDEFHMVGZCOMSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5N3O6/c15-13(16)6-4-9-10(5-7(6)14(17)18)20-11-8(19-9)2-1-3-12-11/h1-5H.
What are the key properties of 7,8-dinitro-[1,4]benzodioxino[3,2-b]pyridine?
7,8-dinitro-[1,4]benzodioxino[3,2-b]pyridine has a molecular weight of 275.18 g/mol, XLogP of 2.80, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dinitro-[1,4]benzodioxino[3,2-b]pyridine is sourced from PubChem (CID 10107435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).