3-nitro-2-[(3S)-pyrrolidin-3-yl]oxypyridine;hydrochloride

C9H12ClN3O3 — CID 53255983

IUPAC3-nitro-2-[(3S)-pyrrolidin-3-yl]oxypyridine;hydrochloride
SMILESCl.O=[N+]([O-])c1cccnc1O[C@H]1CCNC1
InChIInChI=1S/C9H11N3O3.ClH/c13-12(14)8-2-1-4-11-9(8)15-7-3-5-10-6-7;/h1-2,4,7,10H,3,5-6H2;1H/t7-;/m0./s1
InChIKeyBIRWQHLYSQIAQQ-FJXQXJEOSA-N
MW245.67 g/mol
LogP1.15
Rot. Bonds3

About 3-nitro-2-[(3S)-pyrrolidin-3-yl]oxypyridine;hydrochloride

3-nitro-2-[(3S)-pyrrolidin-3-yl]oxypyridine;hydrochloride (PubChem CID 53255983) has the molecular formula C9H12ClN3O3 and a molecular weight of 245.67 g/mol. Its IUPAC name is 3-nitro-2-[(3S)-pyrrolidin-3-yl]oxypyridine;hydrochloride.

Molecular Properties

Compound Name3-nitro-2-[(3S)-pyrrolidin-3-yl]oxypyridine;hydrochloride
PubChem CID53255983
Molecular FormulaC9H12ClN3O3
Molecular Weight245.67 g/mol
Exact Mass245.06
IUPAC Name3-nitro-2-[(3S)-pyrrolidin-3-yl]oxypyridine;hydrochloride
SMILESCl.O=[N+]([O-])c1cccnc1O[C@H]1CCNC1
InChIInChI=1S/C9H11N3O3.ClH/c13-12(14)8-2-1-4-11-9(8)15-7-3-5-10-6-7;/h1-2,4,7,10H,3,5-6H2;1H/t7-;/m0./s1
InChIKeyBIRWQHLYSQIAQQ-FJXQXJEOSA-N
XLogP1.15
TPSA77.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.67
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

2-cyclopentyloxy-3-nitropyridine
CID 124707283
3-fluoro-2-pyrrolidin-3-yloxypyridine;hydrochloride
CID 86276895
3-fluoro-2-[(3S)-pyrrolidin-3-yl]oxypyridine
CID 94573941
3-bromo-2-[(3R)-pyrrolidin-3-yl]oxypyridine
CID 94406855
3-nitro-2-(oxan-3-yloxy)pyridine
CID 67395287
2-[(1R,3S)-3-methoxycyclohexyl]oxy-3-nitropyridine
CID 58421668
2-pyrrolidin-3-yloxypyridine-3-carboxamide
CID 62347808
3-nitro-N-[(3R)-pyrrolidin-3-yl]pyridin-2-amine;hydrochloride
CID 71635600
3-bromo-4-methyl-5-nitro-2-pyrrolidin-3-yloxypyridine
CID 104508420
3-nitro-2-[3-[(3R)-piperidin-3-yl]propoxy]pyridine
CID 97177823
2-nitro-5-pyrrolidin-3-yloxypyridine
CID 82237488
3-nitro-2-pyrrolidin-3-ylsulfinylpyridine;hydrochloride
CID 71635648

Frequently Asked Questions

What is the IUPAC name of 3-nitro-2-[(3S)-pyrrolidin-3-yl]oxypyridine;hydrochloride?
The IUPAC name of 3-nitro-2-[(3S)-pyrrolidin-3-yl]oxypyridine;hydrochloride (CID 53255983) is 3-nitro-2-[(3S)-pyrrolidin-3-yl]oxypyridine;hydrochloride.
What is the SMILES notation for 3-nitro-2-[(3S)-pyrrolidin-3-yl]oxypyridine;hydrochloride?
The canonical SMILES for 3-nitro-2-[(3S)-pyrrolidin-3-yl]oxypyridine;hydrochloride is Cl.O=[N+]([O-])c1cccnc1O[C@H]1CCNC1.
What is the InChIKey of 3-nitro-2-[(3S)-pyrrolidin-3-yl]oxypyridine;hydrochloride?
The InChIKey is BIRWQHLYSQIAQQ-FJXQXJEOSA-N. The full InChI is InChI=1S/C9H11N3O3.ClH/c13-12(14)8-2-1-4-11-9(8)15-7-3-5-10-6-7;/h1-2,4,7,10H,3,5-6H2;1H/t7-;/m0./s1.
What are the key properties of 3-nitro-2-[(3S)-pyrrolidin-3-yl]oxypyridine;hydrochloride?
3-nitro-2-[(3S)-pyrrolidin-3-yl]oxypyridine;hydrochloride has a molecular weight of 245.67 g/mol, XLogP of 1.15, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitro-2-[(3S)-pyrrolidin-3-yl]oxypyridine;hydrochloride is sourced from PubChem (CID 53255983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).