3-nitro-N-[(3R)-pyrrolidin-3-yl]pyridin-2-amine;hydrochloride

C9H13ClN4O2 — CID 71635600

IUPAC3-nitro-N-[(3R)-pyrrolidin-3-yl]pyridin-2-amine;hydrochloride
SMILESCl.O=[N+]([O-])c1cccnc1N[C@@H]1CCNC1
InChIInChI=1S/C9H12N4O2.ClH/c14-13(15)8-2-1-4-11-9(8)12-7-3-5-10-6-7;/h1-2,4,7,10H,3,5-6H2,(H,11,12);1H/t7-;/m1./s1
InChIKeyRSNZMOIMXSSVJS-OGFXRTJISA-N
MW244.68 g/mol
LogP1.19
Rot. Bonds3

About 3-nitro-N-[(3R)-pyrrolidin-3-yl]pyridin-2-amine;hydrochloride

3-nitro-N-[(3R)-pyrrolidin-3-yl]pyridin-2-amine;hydrochloride (PubChem CID 71635600) has the molecular formula C9H13ClN4O2 and a molecular weight of 244.68 g/mol. Its IUPAC name is 3-nitro-N-[(3R)-pyrrolidin-3-yl]pyridin-2-amine;hydrochloride.

Molecular Properties

Compound Name3-nitro-N-[(3R)-pyrrolidin-3-yl]pyridin-2-amine;hydrochloride
PubChem CID71635600
Molecular FormulaC9H13ClN4O2
Molecular Weight244.68 g/mol
Exact Mass244.07
IUPAC Name3-nitro-N-[(3R)-pyrrolidin-3-yl]pyridin-2-amine;hydrochloride
SMILESCl.O=[N+]([O-])c1cccnc1N[C@@H]1CCNC1
InChIInChI=1S/C9H12N4O2.ClH/c14-13(15)8-2-1-4-11-9(8)12-7-3-5-10-6-7;/h1-2,4,7,10H,3,5-6H2,(H,11,12);1H/t7-;/m1./s1
InChIKeyRSNZMOIMXSSVJS-OGFXRTJISA-N
XLogP1.19
TPSA80.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.68
LogP ≤ 51.19
H-Bond Donors ≤ 52
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

3-nitro-N-[(3S)-piperidin-3-yl]pyridin-2-amine;hydrochloride
CID 71635602
N-cyclopropyl-3-nitropyridin-2-amine;hydrochloride
CID 133059151
3-nitro-N-[[(3R)-pyrrolidin-3-yl]methyl]pyridin-2-amine;hydrochloride
CID 71008351
4-N-(3-nitro-2-pyridinyl)cyclohexane-1,4-diamine
CID 22591412
3-fluoro-N-pyrrolidin-3-ylpyridin-2-amine
CID 62732869
N-(3-nitro-2-pyridinyl)-5-azaspiro[3.5]nonan-8-amine
CID 43599429
N-(2-nitro-3-pyridinyl)azepan-3-amine
CID 113424918
N-(1-methylsulfonylpiperidin-4-yl)-3-nitropyridin-2-amine
CID 18288213
3-nitro-2-(pyrrolidin-3-ylamino)pyridine-4-carbonitrile
CID 82813443
N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-3-nitropyridin-2-amine
CID 133347869
3-nitro-2-[(3S)-pyrrolidin-3-yl]oxypyridine;hydrochloride
CID 53255983
N-(2-methylcyclopropyl)-3-nitropyridin-2-amine
CID 62396767

Frequently Asked Questions

What is the IUPAC name of 3-nitro-N-[(3R)-pyrrolidin-3-yl]pyridin-2-amine;hydrochloride?
The IUPAC name of 3-nitro-N-[(3R)-pyrrolidin-3-yl]pyridin-2-amine;hydrochloride (CID 71635600) is 3-nitro-N-[(3R)-pyrrolidin-3-yl]pyridin-2-amine;hydrochloride.
What is the SMILES notation for 3-nitro-N-[(3R)-pyrrolidin-3-yl]pyridin-2-amine;hydrochloride?
The canonical SMILES for 3-nitro-N-[(3R)-pyrrolidin-3-yl]pyridin-2-amine;hydrochloride is Cl.O=[N+]([O-])c1cccnc1N[C@@H]1CCNC1.
What is the InChIKey of 3-nitro-N-[(3R)-pyrrolidin-3-yl]pyridin-2-amine;hydrochloride?
The InChIKey is RSNZMOIMXSSVJS-OGFXRTJISA-N. The full InChI is InChI=1S/C9H12N4O2.ClH/c14-13(15)8-2-1-4-11-9(8)12-7-3-5-10-6-7;/h1-2,4,7,10H,3,5-6H2,(H,11,12);1H/t7-;/m1./s1.
What are the key properties of 3-nitro-N-[(3R)-pyrrolidin-3-yl]pyridin-2-amine;hydrochloride?
3-nitro-N-[(3R)-pyrrolidin-3-yl]pyridin-2-amine;hydrochloride has a molecular weight of 244.68 g/mol, XLogP of 1.19, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitro-N-[(3R)-pyrrolidin-3-yl]pyridin-2-amine;hydrochloride is sourced from PubChem (CID 71635600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).