4-chloro-7-nitro-1,6-naphthyridine

C8H4ClN3O2 — CID 133060789

IUPAC4-chloro-7-nitro-1,6-naphthyridine
SMILESO=[N+]([O-])c1cc2nccc(Cl)c2cn1
InChIInChI=1S/C8H4ClN3O2/c9-6-1-2-10-7-3-8(12(13)14)11-4-5(6)7/h1-4H
InChIKeyKZMQWLMUTUMFRN-UHFFFAOYSA-N
MW209.59 g/mol
LogP2.19
Rot. Bonds1

About 4-chloro-7-nitro-1,6-naphthyridine

4-chloro-7-nitro-1,6-naphthyridine (PubChem CID 133060789) has the molecular formula C8H4ClN3O2 and a molecular weight of 209.59 g/mol. Its IUPAC name is 4-chloro-7-nitro-1,6-naphthyridine.

Molecular Properties

Compound Name4-chloro-7-nitro-1,6-naphthyridine
PubChem CID133060789
Molecular FormulaC8H4ClN3O2
Molecular Weight209.59 g/mol
Exact Mass209.00
IUPAC Name4-chloro-7-nitro-1,6-naphthyridine
SMILESO=[N+]([O-])c1cc2nccc(Cl)c2cn1
InChIInChI=1S/C8H4ClN3O2/c9-6-1-2-10-7-3-8(12(13)14)11-4-5(6)7/h1-4H
InChIKeyKZMQWLMUTUMFRN-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': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-chloro-7-methyl-1,6-naphthyridine
CID 69177238
4-chloro-2-nitropyridine
CID 2762847
5-chloro-4-methyl-2-nitropyridine
CID 77230639
5-bromo-4-chloro-2-nitropyridine
CID 118994717
4,7-dichloroquinoline
CID 6866
4-chloro-5-methoxy-2-nitropyridine
CID 118850680
4-chloro-3-methoxy-2-nitropyridine
CID 118816887
4-chloro-6-methyl-8-nitroquinoline
CID 19592802
4-chloro-5-nitroquinoline
CID 12582845
4-chloroquinoline-6-carbaldehyde
CID 53417226
4-chloro-8-methyl-7-nitroquinoline
CID 10242674
8-chloro-5-nitroisoquinoline
CID 53420876

Frequently Asked Questions

What is the IUPAC name of 4-chloro-7-nitro-1,6-naphthyridine?
The IUPAC name of 4-chloro-7-nitro-1,6-naphthyridine (CID 133060789) is 4-chloro-7-nitro-1,6-naphthyridine.
What is the SMILES notation for 4-chloro-7-nitro-1,6-naphthyridine?
The canonical SMILES for 4-chloro-7-nitro-1,6-naphthyridine is O=[N+]([O-])c1cc2nccc(Cl)c2cn1.
What is the InChIKey of 4-chloro-7-nitro-1,6-naphthyridine?
The InChIKey is KZMQWLMUTUMFRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4ClN3O2/c9-6-1-2-10-7-3-8(12(13)14)11-4-5(6)7/h1-4H.
What are the key properties of 4-chloro-7-nitro-1,6-naphthyridine?
4-chloro-7-nitro-1,6-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 4-chloro-7-nitro-1,6-naphthyridine is sourced from PubChem (CID 133060789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).