2-chloro-3-nitro-6-pyridin-3-ylpyridine

C10H6ClN3O2 — CID 20550319

IUPAC2-chloro-3-nitro-6-pyridin-3-ylpyridine
SMILESO=[N+]([O-])c1ccc(-c2cccnc2)nc1Cl
InChIInChI=1S/C10H6ClN3O2/c11-10-9(14(15)16)4-3-8(13-10)7-2-1-5-12-6-7/h1-6H
InChIKeyJEBLHIKGCFSMPN-UHFFFAOYSA-N
MW235.63 g/mol
LogP2.71
Rot. Bonds2

About 2-chloro-3-nitro-6-pyridin-3-ylpyridine

2-chloro-3-nitro-6-pyridin-3-ylpyridine (PubChem CID 20550319) has the molecular formula C10H6ClN3O2 and a molecular weight of 235.63 g/mol. Its IUPAC name is 2-chloro-3-nitro-6-pyridin-3-ylpyridine.

Molecular Properties

Compound Name2-chloro-3-nitro-6-pyridin-3-ylpyridine
PubChem CID20550319
Molecular FormulaC10H6ClN3O2
Molecular Weight235.63 g/mol
Exact Mass235.01
IUPAC Name2-chloro-3-nitro-6-pyridin-3-ylpyridine
SMILESO=[N+]([O-])c1ccc(-c2cccnc2)nc1Cl
InChIInChI=1S/C10H6ClN3O2/c11-10-9(14(15)16)4-3-8(13-10)7-2-1-5-12-6-7/h1-6H
InChIKeyJEBLHIKGCFSMPN-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': '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

2-chloro-3-nitro-6-pyridin-3-yl-5-(trifluoromethyl)pyridine
CID 174480206
2-chloro-3-nitro-6-phenylpyridine;6-chloro-3-nitropyridin-2-amine;3-nitro-6-phenylpyridin-2-amine
CID 159704997
6-methyl-3-nitro-2-pyridin-3-ylpyridine
CID 46316012
3-(4-chloro-2-nitrophenyl)pyridine
CID 76852317
5-chloro-3-nitro-2-pyridin-3-ylpyridine
CID 46315358
2,6-dipyridin-3-ylpyridine
CID 13349632
8-nitro-2-phenyl-1,6-naphthyridine
CID 165357898
6-chloro-5-nitropyridin-2-amine
CID 3069277
6-chloro-3-nitro-N-(pyridin-3-ylmethyl)pyridin-2-amine
CID 24904008
3-[5-(3-methyl-4-nitrophenyl)-1H-1,2,4-triazol-3-yl]pyridine
CID 43826489
5-nitro-4-pyridin-3-ylquinoline
CID 175692098
2-nitro-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)phenol
CID 67026095

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-nitro-6-pyridin-3-ylpyridine?
The IUPAC name of 2-chloro-3-nitro-6-pyridin-3-ylpyridine (CID 20550319) is 2-chloro-3-nitro-6-pyridin-3-ylpyridine.
What is the SMILES notation for 2-chloro-3-nitro-6-pyridin-3-ylpyridine?
The canonical SMILES for 2-chloro-3-nitro-6-pyridin-3-ylpyridine is O=[N+]([O-])c1ccc(-c2cccnc2)nc1Cl.
What is the InChIKey of 2-chloro-3-nitro-6-pyridin-3-ylpyridine?
The InChIKey is JEBLHIKGCFSMPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClN3O2/c11-10-9(14(15)16)4-3-8(13-10)7-2-1-5-12-6-7/h1-6H.
What are the key properties of 2-chloro-3-nitro-6-pyridin-3-ylpyridine?
2-chloro-3-nitro-6-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 2-chloro-3-nitro-6-pyridin-3-ylpyridine is sourced from PubChem (CID 20550319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).