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

C10H5BrClN3O2 — CID 141174249

IUPAC3-bromo-2-(3-chloro-4-pyridinyl)-5-nitropyridine
SMILESO=[N+]([O-])c1cnc(-c2ccncc2Cl)c(Br)c1
InChIInChI=1S/C10H5BrClN3O2/c11-8-3-6(15(16)17)4-14-10(8)7-1-2-13-5-9(7)12/h1-5H
InChIKeyJEWKHJWLXOZJNB-UHFFFAOYSA-N
MW314.53 g/mol
LogP3.47
Rot. Bonds2

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

3-bromo-2-(3-chloro-4-pyridinyl)-5-nitropyridine (PubChem CID 141174249) has the molecular formula C10H5BrClN3O2 and a molecular weight of 314.53 g/mol. Its IUPAC name is 3-bromo-2-(3-chloro-4-pyridinyl)-5-nitropyridine.

Molecular Properties

Compound Name3-bromo-2-(3-chloro-4-pyridinyl)-5-nitropyridine
PubChem CID141174249
Molecular FormulaC10H5BrClN3O2
Molecular Weight314.53 g/mol
Exact Mass312.93
IUPAC Name3-bromo-2-(3-chloro-4-pyridinyl)-5-nitropyridine
SMILESO=[N+]([O-])c1cnc(-c2ccncc2Cl)c(Br)c1
InChIInChI=1S/C10H5BrClN3O2/c11-8-3-6(15(16)17)4-14-10(8)7-1-2-13-5-9(7)12/h1-5H
InChIKeyJEWKHJWLXOZJNB-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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Related Compounds

3-Bromo-6-chloro-8-nitroquinoline
CID 384158
6-Bromo-3-chloro-8-nitroquinoline
CID 384159
4-Chloro-3-nitroquinoline
CID 11275808
6-Bromo-4-chloro-3-nitroquinoline
CID 21984128
7-Bromo-4-chloro-3-nitroquinoline
CID 21984361
3-Bromo-2-chloro-4-methyl-5-nitropyridine
CID 40151917
5-Bromo-8-chloro-1,7-naphthyridine
CID 42281365
2-Chloro-5-nitro-3-phenylpyridine
CID 46314698
3-Bromo-8-chloro-1,7-naphthyridine
CID 72213592
6-Bromo-4-chloro-8-fluoro-3-nitroquinoline
CID 102614128
3,4-DI-(2-Chloropyridin-3-YL)furoxan
CID 15253698
2-Chloro-4-cyclohex-2-enyl-3-nitro-pyridine
CID 23659336

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-(3-chloro-4-pyridinyl)-5-nitropyridine?
The IUPAC name of 3-bromo-2-(3-chloro-4-pyridinyl)-5-nitropyridine (CID 141174249) is 3-bromo-2-(3-chloro-4-pyridinyl)-5-nitropyridine.
What is the SMILES notation for 3-bromo-2-(3-chloro-4-pyridinyl)-5-nitropyridine?
The canonical SMILES for 3-bromo-2-(3-chloro-4-pyridinyl)-5-nitropyridine is O=[N+]([O-])c1cnc(-c2ccncc2Cl)c(Br)c1.
What is the InChIKey of 3-bromo-2-(3-chloro-4-pyridinyl)-5-nitropyridine?
The InChIKey is JEWKHJWLXOZJNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5BrClN3O2/c11-8-3-6(15(16)17)4-14-10(8)7-1-2-13-5-9(7)12/h1-5H.
What are the key properties of 3-bromo-2-(3-chloro-4-pyridinyl)-5-nitropyridine?
3-bromo-2-(3-chloro-4-pyridinyl)-5-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 3-bromo-2-(3-chloro-4-pyridinyl)-5-nitropyridine is sourced from PubChem (CID 141174249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).