2-bromo-4-nitro-6-pyrrolidin-1-ylpyridine

C9H10BrN3O2 — CID 155883085

IUPAC2-bromo-4-nitro-6-pyrrolidin-1-ylpyridine
SMILESO=[N+]([O-])c1cc(Br)nc(N2CCCC2)c1
InChIInChI=1S/C9H10BrN3O2/c10-8-5-7(13(14)15)6-9(11-8)12-3-1-2-4-12/h5-6H,1-4H2
InChIKeyKSHCNNDLEHQDCW-UHFFFAOYSA-N
MW272.10 g/mol
LogP2.35
Rot. Bonds2

About 2-bromo-4-nitro-6-pyrrolidin-1-ylpyridine

2-bromo-4-nitro-6-pyrrolidin-1-ylpyridine (PubChem CID 155883085) has the molecular formula C9H10BrN3O2 and a molecular weight of 272.10 g/mol. Its IUPAC name is 2-bromo-4-nitro-6-pyrrolidin-1-ylpyridine.

Molecular Properties

Compound Name2-bromo-4-nitro-6-pyrrolidin-1-ylpyridine
PubChem CID155883085
Molecular FormulaC9H10BrN3O2
Molecular Weight272.10 g/mol
Exact Mass271.00
IUPAC Name2-bromo-4-nitro-6-pyrrolidin-1-ylpyridine
SMILESO=[N+]([O-])c1cc(Br)nc(N2CCCC2)c1
InChIInChI=1S/C9H10BrN3O2/c10-8-5-7(13(14)15)6-9(11-8)12-3-1-2-4-12/h5-6H,1-4H2
InChIKeyKSHCNNDLEHQDCW-UHFFFAOYSA-N
XLogP2.35
TPSA59.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.10
LogP ≤ 52.35
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

4-(6-chloro-4-nitro-2-pyridinyl)-1,4-thiazepane
CID 103886479
[6-(4-methyl-1,4-diazepan-1-yl)-4-nitro-2-pyridinyl]hydrazine
CID 114071527
2-chloro-6-(4,4-dimethylpiperidin-1-yl)-4-nitropyridine
CID 113346468
4-(3-nitrophenyl)-6-pyrrolidin-1-ylpyrimidin-2-amine
CID 142998023
1-[4-(6-chloro-4-nitro-2-pyridinyl)piperazin-1-yl]ethanone
CID 113345967
2-(3-nitrophenyl)-6-pyrrolidin-1-ylpyridine
CID 59825455
1-(6-chloro-4-nitro-2-pyridinyl)-4-ethylpiperazine
CID 103886373
2-(azetidin-1-yl)-6-nitroquinoline
CID 121008923
4-[4-[(4-nitrophenyl)methyl]piperazin-1-yl]-2,6-dipyrrolidin-1-ylpyrimidine
CID 134156687
4-bromo-2-propan-2-yl-6-pyrrolidin-1-ylpyrimidine
CID 112554790
2-bromo-6-ethyl-4-nitropyridine
CID 91102735
1-(3-fluoro-5-nitrophenyl)pyrrolidine
CID 22636164

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-nitro-6-pyrrolidin-1-ylpyridine?
The IUPAC name of 2-bromo-4-nitro-6-pyrrolidin-1-ylpyridine (CID 155883085) is 2-bromo-4-nitro-6-pyrrolidin-1-ylpyridine.
What is the SMILES notation for 2-bromo-4-nitro-6-pyrrolidin-1-ylpyridine?
The canonical SMILES for 2-bromo-4-nitro-6-pyrrolidin-1-ylpyridine is O=[N+]([O-])c1cc(Br)nc(N2CCCC2)c1.
What is the InChIKey of 2-bromo-4-nitro-6-pyrrolidin-1-ylpyridine?
The InChIKey is KSHCNNDLEHQDCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrN3O2/c10-8-5-7(13(14)15)6-9(11-8)12-3-1-2-4-12/h5-6H,1-4H2.
What are the key properties of 2-bromo-4-nitro-6-pyrrolidin-1-ylpyridine?
2-bromo-4-nitro-6-pyrrolidin-1-ylpyridine has a molecular weight of 272.10 g/mol, XLogP of 2.35, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-nitro-6-pyrrolidin-1-ylpyridine is sourced from PubChem (CID 155883085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).