5-bromo-2-(3-chloro-4-pyridinyl)-3-nitropyridine

C10H5BrClN3O2 — CID 122686566

IUPAC5-bromo-2-(3-chloro-4-pyridinyl)-3-nitropyridine
SMILESO=[N+]([O-])c1cc(Br)cnc1-c1ccncc1Cl
InChIInChI=1S/C10H5BrClN3O2/c11-6-3-9(15(16)17)10(14-4-6)7-1-2-13-5-8(7)12/h1-5H
InChIKeyYDTIJSRIOYEFSW-UHFFFAOYSA-N
MW314.53 g/mol
LogP3.47
Rot. Bonds2

About 5-bromo-2-(3-chloro-4-pyridinyl)-3-nitropyridine

5-bromo-2-(3-chloro-4-pyridinyl)-3-nitropyridine (PubChem CID 122686566) has the molecular formula C10H5BrClN3O2 and a molecular weight of 314.53 g/mol. Its IUPAC name is 5-bromo-2-(3-chloro-4-pyridinyl)-3-nitropyridine.

Molecular Properties

Compound Name5-bromo-2-(3-chloro-4-pyridinyl)-3-nitropyridine
PubChem CID122686566
Molecular FormulaC10H5BrClN3O2
Molecular Weight314.53 g/mol
Exact Mass312.93
IUPAC Name5-bromo-2-(3-chloro-4-pyridinyl)-3-nitropyridine
SMILESO=[N+]([O-])c1cc(Br)cnc1-c1ccncc1Cl
InChIInChI=1S/C10H5BrClN3O2/c11-6-3-9(15(16)17)10(14-4-6)7-1-2-13-5-8(7)12/h1-5H
InChIKeyYDTIJSRIOYEFSW-UHFFFAOYSA-N
XLogP3.47
TPSA68.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.53
LogP ≤ 53.47
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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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(3-chloro-4-pyridinyl)-3-nitropyridine?
The IUPAC name of 5-bromo-2-(3-chloro-4-pyridinyl)-3-nitropyridine (CID 122686566) is 5-bromo-2-(3-chloro-4-pyridinyl)-3-nitropyridine.
What is the SMILES notation for 5-bromo-2-(3-chloro-4-pyridinyl)-3-nitropyridine?
The canonical SMILES for 5-bromo-2-(3-chloro-4-pyridinyl)-3-nitropyridine is O=[N+]([O-])c1cc(Br)cnc1-c1ccncc1Cl.
What is the InChIKey of 5-bromo-2-(3-chloro-4-pyridinyl)-3-nitropyridine?
The InChIKey is YDTIJSRIOYEFSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5BrClN3O2/c11-6-3-9(15(16)17)10(14-4-6)7-1-2-13-5-8(7)12/h1-5H.
What are the key properties of 5-bromo-2-(3-chloro-4-pyridinyl)-3-nitropyridine?
5-bromo-2-(3-chloro-4-pyridinyl)-3-nitropyridine has a molecular weight of 314.53 g/mol, XLogP of 3.47, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(3-chloro-4-pyridinyl)-3-nitropyridine is sourced from PubChem (CID 122686566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).