2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-nitrosoimidazo[1,2-a]pyridine

C16H13N3O3 — CID 82356265

IUPAC2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-nitrosoimidazo[1,2-a]pyridine
SMILESO=Nc1c(-c2ccc3c(c2)OCCCO3)nc2ccccn12
InChIInChI=1S/C16H13N3O3/c20-18-16-15(17-14-4-1-2-7-19(14)16)11-5-6-12-13(10-11)22-9-3-8-21-12/h1-2,4-7,10H,3,8-9H2
InChIKeyDQKDQDXIHVWKKX-UHFFFAOYSA-N
MW295.30 g/mol
LogP3.56
Rot. Bonds2

About 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-nitrosoimidazo[1,2-a]pyridine

2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-nitrosoimidazo[1,2-a]pyridine (PubChem CID 82356265) has the molecular formula C16H13N3O3 and a molecular weight of 295.30 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-nitrosoimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-nitrosoimidazo[1,2-a]pyridine
PubChem CID82356265
Molecular FormulaC16H13N3O3
Molecular Weight295.30 g/mol
Exact Mass295.10
IUPAC Name2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-nitrosoimidazo[1,2-a]pyridine
SMILESO=Nc1c(-c2ccc3c(c2)OCCCO3)nc2ccccn12
InChIInChI=1S/C16H13N3O3/c20-18-16-15(17-14-4-1-2-7-19(14)16)11-5-6-12-13(10-11)22-9-3-8-21-12/h1-2,4-7,10H,3,8-9H2
InChIKeyDQKDQDXIHVWKKX-UHFFFAOYSA-N
XLogP3.56
TPSA65.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-6-(3-nitrosoimidazo[1,2-a]pyridin-2-yl)-1,4-benzoxazin-3-one
CID 95967035
2-(1,3-benzodioxol-5-yl)imidazo[1,2-a]pyridine-3-carbaldehyde
CID 1096448
2-(4-ethylphenyl)-3-nitrosoimidazo[1,2-a]pyridine
CID 82356222
1-methyl-5-(3-nitrosoimidazo[1,2-a]pyridin-2-yl)-3H-indol-2-one
CID 82356282
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-pyridin-2-ylimidazo[1,2-a]pyridin-3-amine
CID 102447794
2-(4-methoxy-3-propan-2-ylphenyl)-3-nitrosoimidazo[1,2-a]pyridine
CID 82356275
7-naphthalen-2-yl-3,4-dihydro-2H-1,5-benzodioxepine
CID 22299009
2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-methylimidazo[1,2-a]pyridin-3-amine
CID 82355851
4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,3-thiazole-2,5-diamine
CID 82342225
1-(6-nitro-1,3-benzodioxol-5-yl)-N-[2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]methanimine
CID 3867858
2-[[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 18088555
2-(2,3-dihydro-1H-inden-5-yl)-7-methyl-3-nitrosoimidazo[1,2-a]pyridine
CID 82356379

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-nitrosoimidazo[1,2-a]pyridine?
The IUPAC name of 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-nitrosoimidazo[1,2-a]pyridine (CID 82356265) is 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-nitrosoimidazo[1,2-a]pyridine.
What is the SMILES notation for 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-nitrosoimidazo[1,2-a]pyridine?
The canonical SMILES for 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-nitrosoimidazo[1,2-a]pyridine is O=Nc1c(-c2ccc3c(c2)OCCCO3)nc2ccccn12.
What is the InChIKey of 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-nitrosoimidazo[1,2-a]pyridine?
The InChIKey is DQKDQDXIHVWKKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O3/c20-18-16-15(17-14-4-1-2-7-19(14)16)11-5-6-12-13(10-11)22-9-3-8-21-12/h1-2,4-7,10H,3,8-9H2.
What are the key properties of 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-nitrosoimidazo[1,2-a]pyridine?
2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-nitrosoimidazo[1,2-a]pyridine has a molecular weight of 295.30 g/mol, XLogP of 3.56, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-nitrosoimidazo[1,2-a]pyridine is sourced from PubChem (CID 82356265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).