5-chloro-3-nitro-2-pyridin-3-ylpyridine

C10H6ClN3O2 — CID 46315358

IUPAC5-chloro-3-nitro-2-pyridin-3-ylpyridine
SMILESO=[N+]([O-])c1cc(Cl)cnc1-c1cccnc1
InChIInChI=1S/C10H6ClN3O2/c11-8-4-9(14(15)16)10(13-6-8)7-2-1-3-12-5-7/h1-6H
InChIKeyPTGIQOBFRGEKTQ-UHFFFAOYSA-N
MW235.63 g/mol
LogP2.71
Rot. Bonds2

About 5-chloro-3-nitro-2-pyridin-3-ylpyridine

5-chloro-3-nitro-2-pyridin-3-ylpyridine (PubChem CID 46315358) has the molecular formula C10H6ClN3O2 and a molecular weight of 235.63 g/mol. Its IUPAC name is 5-chloro-3-nitro-2-pyridin-3-ylpyridine.

Molecular Properties

Compound Name5-chloro-3-nitro-2-pyridin-3-ylpyridine
PubChem CID46315358
Molecular FormulaC10H6ClN3O2
Molecular Weight235.63 g/mol
Exact Mass235.01
IUPAC Name5-chloro-3-nitro-2-pyridin-3-ylpyridine
SMILESO=[N+]([O-])c1cc(Cl)cnc1-c1cccnc1
InChIInChI=1S/C10H6ClN3O2/c11-8-4-9(14(15)16)10(13-6-8)7-2-1-3-12-5-7/h1-6H
InChIKeyPTGIQOBFRGEKTQ-UHFFFAOYSA-N
XLogP2.71
TPSA68.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.63
LogP ≤ 52.71
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

3-(4-chloro-2-nitrophenyl)pyridine
CID 76852317
5-chloro-3-nitro-2-(pyridin-3-ylmethoxy)pyridine
CID 135218673
5-chloro-3-prop-1-enyl-2-pyridin-3-ylpyridine
CID 175455696
2-chloro-3-nitro-6-pyridin-3-yl-5-(trifluoromethyl)pyridine
CID 174480206
2-chloro-3-nitro-6-pyridin-3-ylpyridine
CID 20550319
6-methyl-3-nitro-2-pyridin-3-ylpyridine
CID 46316012
5-chloro-2-methoxy-3-nitropyridine chloride
CID 164593887
3,5-dinitro-2-phenylpyridine
CID 14948543
3-[(5-chloro-3-nitro-2-pyridinyl)oxy]pyridazine
CID 59849927
disilver;2,3-dipyridin-3-ylpyridine;dinitrate
CID 174813132
5-chloro-3-nitro-2-[2-(trifluoromethoxy)phenyl]pyridine
CID 134629833
5-nitro-4-pyridin-3-ylquinoline
CID 175692098

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-nitro-2-pyridin-3-ylpyridine?
The IUPAC name of 5-chloro-3-nitro-2-pyridin-3-ylpyridine (CID 46315358) is 5-chloro-3-nitro-2-pyridin-3-ylpyridine.
What is the SMILES notation for 5-chloro-3-nitro-2-pyridin-3-ylpyridine?
The canonical SMILES for 5-chloro-3-nitro-2-pyridin-3-ylpyridine is O=[N+]([O-])c1cc(Cl)cnc1-c1cccnc1.
What is the InChIKey of 5-chloro-3-nitro-2-pyridin-3-ylpyridine?
The InChIKey is PTGIQOBFRGEKTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClN3O2/c11-8-4-9(14(15)16)10(13-6-8)7-2-1-3-12-5-7/h1-6H.
What are the key properties of 5-chloro-3-nitro-2-pyridin-3-ylpyridine?
5-chloro-3-nitro-2-pyridin-3-ylpyridine has a molecular weight of 235.63 g/mol, XLogP of 2.71, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-nitro-2-pyridin-3-ylpyridine is sourced from PubChem (CID 46315358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).