2-chloro-3-nitro-1,5-naphthyridine

C8H4ClN3O2 — CID 12592998

IUPAC2-chloro-3-nitro-1,5-naphthyridine
SMILESO=[N+]([O-])c1cc2ncccc2nc1Cl
InChIInChI=1S/C8H4ClN3O2/c9-8-7(12(13)14)4-6-5(11-8)2-1-3-10-6/h1-4H
InChIKeySFKCHWCGYMDITM-UHFFFAOYSA-N
MW209.59 g/mol
LogP2.19
Rot. Bonds1

About 2-chloro-3-nitro-1,5-naphthyridine

2-chloro-3-nitro-1,5-naphthyridine (PubChem CID 12592998) has the molecular formula C8H4ClN3O2 and a molecular weight of 209.59 g/mol. Its IUPAC name is 2-chloro-3-nitro-1,5-naphthyridine.

Molecular Properties

Compound Name2-chloro-3-nitro-1,5-naphthyridine
PubChem CID12592998
Molecular FormulaC8H4ClN3O2
Molecular Weight209.59 g/mol
Exact Mass209.00
IUPAC Name2-chloro-3-nitro-1,5-naphthyridine
SMILESO=[N+]([O-])c1cc2ncccc2nc1Cl
InChIInChI=1S/C8H4ClN3O2/c9-8-7(12(13)14)4-6-5(11-8)2-1-3-10-6/h1-4H
InChIKeySFKCHWCGYMDITM-UHFFFAOYSA-N
XLogP2.19
TPSA68.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.59
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-Chloro-8-nitroquinoline
CID 610440
Quinoxaline, 6-nitro-
CID 96029
2-Methyl-6-nitroquinoxaline
CID 824610
7-Chloropyrido[3,4-b]pyrazine
CID 44119674
4-Nitro-2,2'-bipyridine-N-oxide
CID 3331282
5-Chloro-2-methylpyrido(3,4-b)pyrazine
CID 12038531
2-Chloro-7-nitroquinoxaline
CID 4054780
4,6-Dichloro-3-nitroquinoline
CID 10681670
4-Chloro-3-nitroquinoline
CID 11275808
4,4'-Dinitro-2,2'-bipyridine
CID 11519563
2,8-Dichloro-1,5-naphthyridine
CID 607747
2,4-Dichloro-1,5-naphthyridine
CID 607749

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-nitro-1,5-naphthyridine?
The IUPAC name of 2-chloro-3-nitro-1,5-naphthyridine (CID 12592998) is 2-chloro-3-nitro-1,5-naphthyridine.
What is the SMILES notation for 2-chloro-3-nitro-1,5-naphthyridine?
The canonical SMILES for 2-chloro-3-nitro-1,5-naphthyridine is O=[N+]([O-])c1cc2ncccc2nc1Cl.
What is the InChIKey of 2-chloro-3-nitro-1,5-naphthyridine?
The InChIKey is SFKCHWCGYMDITM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4ClN3O2/c9-8-7(12(13)14)4-6-5(11-8)2-1-3-10-6/h1-4H.
What are the key properties of 2-chloro-3-nitro-1,5-naphthyridine?
2-chloro-3-nitro-1,5-naphthyridine has a molecular weight of 209.59 g/mol, XLogP of 2.19, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-nitro-1,5-naphthyridine is sourced from PubChem (CID 12592998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).