6-chloro-3-nitro-2-pyridin-4-ylpyridine

C10H6ClN3O2 — CID 13309017

IUPAC6-chloro-3-nitro-2-pyridin-4-ylpyridine
SMILESO=[N+]([O-])c1ccc(Cl)nc1-c1ccncc1
InChIInChI=1S/C10H6ClN3O2/c11-9-2-1-8(14(15)16)10(13-9)7-3-5-12-6-4-7/h1-6H
InChIKeyWAJUWQHFQNIJIZ-UHFFFAOYSA-N
MW235.63 g/mol
LogP2.71
Rot. Bonds2

About 6-chloro-3-nitro-2-pyridin-4-ylpyridine

6-chloro-3-nitro-2-pyridin-4-ylpyridine (PubChem CID 13309017) has the molecular formula C10H6ClN3O2 and a molecular weight of 235.63 g/mol. Its IUPAC name is 6-chloro-3-nitro-2-pyridin-4-ylpyridine.

Molecular Properties

Compound Name6-chloro-3-nitro-2-pyridin-4-ylpyridine
PubChem CID13309017
Molecular FormulaC10H6ClN3O2
Molecular Weight235.63 g/mol
Exact Mass235.01
IUPAC Name6-chloro-3-nitro-2-pyridin-4-ylpyridine
SMILESO=[N+]([O-])c1ccc(Cl)nc1-c1ccncc1
InChIInChI=1S/C10H6ClN3O2/c11-9-2-1-8(14(15)16)10(13-9)7-3-5-12-6-4-7/h1-6H
InChIKeyWAJUWQHFQNIJIZ-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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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-nitro-2-pyridin-4-ylpyridine?
The IUPAC name of 6-chloro-3-nitro-2-pyridin-4-ylpyridine (CID 13309017) is 6-chloro-3-nitro-2-pyridin-4-ylpyridine.
What is the SMILES notation for 6-chloro-3-nitro-2-pyridin-4-ylpyridine?
The canonical SMILES for 6-chloro-3-nitro-2-pyridin-4-ylpyridine is O=[N+]([O-])c1ccc(Cl)nc1-c1ccncc1.
What is the InChIKey of 6-chloro-3-nitro-2-pyridin-4-ylpyridine?
The InChIKey is WAJUWQHFQNIJIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClN3O2/c11-9-2-1-8(14(15)16)10(13-9)7-3-5-12-6-4-7/h1-6H.
What are the key properties of 6-chloro-3-nitro-2-pyridin-4-ylpyridine?
6-chloro-3-nitro-2-pyridin-4-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 6-chloro-3-nitro-2-pyridin-4-ylpyridine is sourced from PubChem (CID 13309017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).