2-chloro-5-[(2-nitro-3-pyridinyl)oxy]pyridazin-3-one

C9H5ClN4O4 — CID 172852182

IUPAC2-chloro-5-[(2-nitro-3-pyridinyl)oxy]pyridazin-3-one
SMILESO=c1cc(Oc2cccnc2[N+](=O)[O-])cnn1Cl
InChIInChI=1S/C9H5ClN4O4/c10-13-8(15)4-6(5-12-13)18-7-2-1-3-11-9(7)14(16)17/h1-5H
InChIKeyYFGHTGFTHBQLMO-UHFFFAOYSA-N
MW268.62 g/mol
LogP1.34
Rot. Bonds3

About 2-chloro-5-[(2-nitro-3-pyridinyl)oxy]pyridazin-3-one

2-chloro-5-[(2-nitro-3-pyridinyl)oxy]pyridazin-3-one (PubChem CID 172852182) has the molecular formula C9H5ClN4O4 and a molecular weight of 268.62 g/mol. Its IUPAC name is 2-chloro-5-[(2-nitro-3-pyridinyl)oxy]pyridazin-3-one.

Molecular Properties

Compound Name2-chloro-5-[(2-nitro-3-pyridinyl)oxy]pyridazin-3-one
PubChem CID172852182
Molecular FormulaC9H5ClN4O4
Molecular Weight268.62 g/mol
Exact Mass268.00
IUPAC Name2-chloro-5-[(2-nitro-3-pyridinyl)oxy]pyridazin-3-one
SMILESO=c1cc(Oc2cccnc2[N+](=O)[O-])cnn1Cl
InChIInChI=1S/C9H5ClN4O4/c10-13-8(15)4-6(5-12-13)18-7-2-1-3-11-9(7)14(16)17/h1-5H
InChIKeyYFGHTGFTHBQLMO-UHFFFAOYSA-N
XLogP1.34
TPSA100.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.62
LogP ≤ 51.34
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

3-methoxy-2-nitropyridine
CID 556063
4-chloro-2-methyl-6-[(2-nitro-3-pyridinyl)oxy]pyrimidine
CID 133282270
3-(3-ethoxy-4-nitrophenoxy)-2-nitropyridine
CID 133424666
3-[3-(difluoromethoxy)-4-nitrophenoxy]-2-nitropyridine
CID 133424660
6-[(2-nitro-3-pyridinyl)oxy]tetrazolo[1,5-b]pyridazine
CID 46683882
3-(cyclopropylmethoxy)-2-nitropyridine
CID 90078181
2,3-dinitropyridine;hydrazine
CID 175406944
3-[(2-nitro-3-pyridinyl)oxy]cyclobutan-1-one
CID 66368057
2-chloro-5-[(2-nitro-3-pyridinyl)oxymethyl]-1,3-thiazole
CID 79764993
(2-nitro-3-pyridinyl) N-chlorosulfonylcarbamate
CID 116799080
(3S)-1-(2-chlorophenyl)-3-[(2-nitro-3-pyridinyl)oxy]pyrrolidin-2-one
CID 95620094
1-chloro-3-[(2-nitro-3-pyridinyl)oxy]propan-2-ol
CID 112560608

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(2-nitro-3-pyridinyl)oxy]pyridazin-3-one?
The IUPAC name of 2-chloro-5-[(2-nitro-3-pyridinyl)oxy]pyridazin-3-one (CID 172852182) is 2-chloro-5-[(2-nitro-3-pyridinyl)oxy]pyridazin-3-one.
What is the SMILES notation for 2-chloro-5-[(2-nitro-3-pyridinyl)oxy]pyridazin-3-one?
The canonical SMILES for 2-chloro-5-[(2-nitro-3-pyridinyl)oxy]pyridazin-3-one is O=c1cc(Oc2cccnc2[N+](=O)[O-])cnn1Cl.
What is the InChIKey of 2-chloro-5-[(2-nitro-3-pyridinyl)oxy]pyridazin-3-one?
The InChIKey is YFGHTGFTHBQLMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5ClN4O4/c10-13-8(15)4-6(5-12-13)18-7-2-1-3-11-9(7)14(16)17/h1-5H.
What are the key properties of 2-chloro-5-[(2-nitro-3-pyridinyl)oxy]pyridazin-3-one?
2-chloro-5-[(2-nitro-3-pyridinyl)oxy]pyridazin-3-one has a molecular weight of 268.62 g/mol, XLogP of 1.34, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[(2-nitro-3-pyridinyl)oxy]pyridazin-3-one is sourced from PubChem (CID 172852182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).