3-nitro-3H-1,5-naphthyridin-2-one

C8H5N3O3 — CID 76844690

IUPAC3-nitro-3H-1,5-naphthyridin-2-one
SMILESO=C1N=c2cccnc2=CC1[N+](=O)[O-]
InChIInChI=1S/C8H5N3O3/c12-8-7(11(13)14)4-6-5(10-8)2-1-3-9-6/h1-4,7H
InChIKeyZPRBKGYFMKGUAU-UHFFFAOYSA-N
MW191.15 g/mol
LogP-1.33
Rot. Bonds1

About 3-nitro-3H-1,5-naphthyridin-2-one

3-nitro-3H-1,5-naphthyridin-2-one (PubChem CID 76844690) has the molecular formula C8H5N3O3 and a molecular weight of 191.15 g/mol. Its IUPAC name is 3-nitro-3H-1,5-naphthyridin-2-one.

Molecular Properties

Compound Name3-nitro-3H-1,5-naphthyridin-2-one
PubChem CID76844690
Molecular FormulaC8H5N3O3
Molecular Weight191.15 g/mol
Exact Mass191.03
IUPAC Name3-nitro-3H-1,5-naphthyridin-2-one
SMILESO=C1N=c2cccnc2=CC1[N+](=O)[O-]
InChIInChI=1S/C8H5N3O3/c12-8-7(11(13)14)4-6-5(10-8)2-1-3-9-6/h1-4,7H
InChIKeyZPRBKGYFMKGUAU-UHFFFAOYSA-N
XLogP-1.33
TPSA85.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.15
LogP ≤ 5-1.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

6-fluoro-7-nitro-6H-quinoxalin-2-one
CID 76844841
3-Nitropyridin-2(3H)-one
CID 71748404
6-methyl-3-nitro-3H-pyridin-2-one
CID 45074629
7-nitro-4aH-quinoxalin-2-one
CID 72743401
5-nitro-4aH-quinoxalin-2-one
CID 72810086
6-nitro-3H-quinoxalin-2-one
CID 73994931
8-nitro-4aH-quinoxalin-2-one
CID 76845728
6-nitro-4aH-quinoxalin-2-one
CID 77519956
3,5-dinitro-3H-pyridin-2-one
CID 78169901
(3S)-3-nitro-3H-pyridin-2-one
CID 98055499
(3R)-3-nitro-3H-pyridin-2-one
CID 98055501

Frequently Asked Questions

What is the IUPAC name of 3-nitro-3H-1,5-naphthyridin-2-one?
The IUPAC name of 3-nitro-3H-1,5-naphthyridin-2-one (CID 76844690) is 3-nitro-3H-1,5-naphthyridin-2-one.
What is the SMILES notation for 3-nitro-3H-1,5-naphthyridin-2-one?
The canonical SMILES for 3-nitro-3H-1,5-naphthyridin-2-one is O=C1N=c2cccnc2=CC1[N+](=O)[O-].
What is the InChIKey of 3-nitro-3H-1,5-naphthyridin-2-one?
The InChIKey is ZPRBKGYFMKGUAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5N3O3/c12-8-7(11(13)14)4-6-5(10-8)2-1-3-9-6/h1-4,7H.
What are the key properties of 3-nitro-3H-1,5-naphthyridin-2-one?
3-nitro-3H-1,5-naphthyridin-2-one has a molecular weight of 191.15 g/mol, XLogP of -1.33, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitro-3H-1,5-naphthyridin-2-one is sourced from PubChem (CID 76844690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).