2-chloro-7-nitro-1,5-naphthyridine

C8H4ClN3O2 — CID 163817652

IUPAC2-chloro-7-nitro-1,5-naphthyridine
SMILESO=[N+]([O-])c1cnc2ccc(Cl)nc2c1
InChIInChI=1S/C8H4ClN3O2/c9-8-2-1-6-7(11-8)3-5(4-10-6)12(13)14/h1-4H
InChIKeyNSRWQEDHRBHLSV-UHFFFAOYSA-N
MW209.59 g/mol
LogP2.19
Rot. Bonds1

About 2-chloro-7-nitro-1,5-naphthyridine

2-chloro-7-nitro-1,5-naphthyridine (PubChem CID 163817652) has the molecular formula C8H4ClN3O2 and a molecular weight of 209.59 g/mol. Its IUPAC name is 2-chloro-7-nitro-1,5-naphthyridine.

Molecular Properties

Compound Name2-chloro-7-nitro-1,5-naphthyridine
PubChem CID163817652
Molecular FormulaC8H4ClN3O2
Molecular Weight209.59 g/mol
Exact Mass209.00
IUPAC Name2-chloro-7-nitro-1,5-naphthyridine
SMILESO=[N+]([O-])c1cnc2ccc(Cl)nc2c1
InChIInChI=1S/C8H4ClN3O2/c9-8-2-1-6-7(11-8)3-5(4-10-6)12(13)14/h1-4H
InChIKeyNSRWQEDHRBHLSV-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

N-methyl-7-nitroquinoxalin-2-amine
CID 119087544
2-chloro-5-nitropyridine-3-carbaldehyde
CID 88905670
7-chloro-3-nitro-8-(trichloromethyl)quinoline
CID 141314818
6-chloro-3-[2-(5-nitro-2-pyridinyl)ethenyl]-2-(trifluoromethyl)pyridine
CID 126806753
2-chloro-5-nitropyridine;nitrous acid
CID 118129772
6-nitrofuro[3,2-b]pyridine
CID 174208193
ethane;6-nitroquinoxaline
CID 143926485
2-chloro-5-nitropyridine;6-chloropyridin-3-amine
CID 87669080
(3-nitroquinolin-7-yl)methanesulfinate
CID 174560872
3-nitro-7,8-dihydro-6H-cyclopenta[g]quinoline
CID 86748677
2-methyl-6-nitro-[1,3]thiazolo[5,4-b]pyridine
CID 44613613
2-(2-chloro-4-nitrophenyl)quinoxaline
CID 134092942

Frequently Asked Questions

What is the IUPAC name of 2-chloro-7-nitro-1,5-naphthyridine?
The IUPAC name of 2-chloro-7-nitro-1,5-naphthyridine (CID 163817652) is 2-chloro-7-nitro-1,5-naphthyridine.
What is the SMILES notation for 2-chloro-7-nitro-1,5-naphthyridine?
The canonical SMILES for 2-chloro-7-nitro-1,5-naphthyridine is O=[N+]([O-])c1cnc2ccc(Cl)nc2c1.
What is the InChIKey of 2-chloro-7-nitro-1,5-naphthyridine?
The InChIKey is NSRWQEDHRBHLSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4ClN3O2/c9-8-2-1-6-7(11-8)3-5(4-10-6)12(13)14/h1-4H.
What are the key properties of 2-chloro-7-nitro-1,5-naphthyridine?
2-chloro-7-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-7-nitro-1,5-naphthyridine is sourced from PubChem (CID 163817652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).