3-[(3-nitro-2-pyridinyl)amino]propan-1-ol;hydrochloride

C8H12ClN3O3 — CID 71299310

IUPAC3-[(3-nitro-2-pyridinyl)amino]propan-1-ol;hydrochloride
SMILESCl.O=[N+]([O-])c1cccnc1NCCCO
InChIInChI=1S/C8H11N3O3.ClH/c12-6-2-5-10-8-7(11(13)14)3-1-4-9-8;/h1,3-4,12H,2,5-6H2,(H,9,10);1H
InChIKeyJZKJKRSJOQDARC-UHFFFAOYSA-N
MW233.65 g/mol
LogP1.21
Rot. Bonds5

About 3-[(3-nitro-2-pyridinyl)amino]propan-1-ol;hydrochloride

3-[(3-nitro-2-pyridinyl)amino]propan-1-ol;hydrochloride (PubChem CID 71299310) has the molecular formula C8H12ClN3O3 and a molecular weight of 233.65 g/mol. Its IUPAC name is 3-[(3-nitro-2-pyridinyl)amino]propan-1-ol;hydrochloride.

Molecular Properties

Compound Name3-[(3-nitro-2-pyridinyl)amino]propan-1-ol;hydrochloride
PubChem CID71299310
Molecular FormulaC8H12ClN3O3
Molecular Weight233.65 g/mol
Exact Mass233.06
IUPAC Name3-[(3-nitro-2-pyridinyl)amino]propan-1-ol;hydrochloride
SMILESCl.O=[N+]([O-])c1cccnc1NCCCO
InChIInChI=1S/C8H11N3O3.ClH/c12-6-2-5-10-8-7(11(13)14)3-1-4-9-8;/h1,3-4,12H,2,5-6H2,(H,9,10);1H
InChIKeyJZKJKRSJOQDARC-UHFFFAOYSA-N
XLogP1.21
TPSA88.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.65
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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

N-(3-nitro-2-pyridinyl)-N'-pyrimidin-2-ylpropane-1,3-diamine
CID 52664309
N-[3-(methoxymethoxy)propyl]-3-nitropyridin-2-amine
CID 125423794
3-nitro-N-(3-pyrazol-1-ylpropyl)pyridin-2-amine
CID 112684451
4-[2-[(3-nitro-2-pyridinyl)amino]ethyl]benzoic acid
CID 43227037
3-[(8-nitroquinolin-5-yl)amino]propan-1-ol
CID 43386308
4-bromo-N-[3-[(3-nitro-2-pyridinyl)amino]propyl]benzamide
CID 133275173
N-(2-methylpropyl)-3-nitropyridin-2-amine;hydrochloride
CID 163342723
3-nitro-N-(5-piperidin-1-ylpentyl)pyridin-2-amine
CID 11361048
N-(2,2-dimethylpropyl)-3-nitropyridin-2-amine
CID 61168630
N-[2-(4-ethylphenyl)ethyl]-3-nitropyridin-2-amine
CID 133304898
3-nitro-N-(2-pyrazol-1-ylethyl)pyridin-2-amine
CID 61068526
N-cycloheptyl-N'-(3-nitro-2-pyridinyl)ethane-1,2-diamine
CID 115306651

Frequently Asked Questions

What is the IUPAC name of 3-[(3-nitro-2-pyridinyl)amino]propan-1-ol;hydrochloride?
The IUPAC name of 3-[(3-nitro-2-pyridinyl)amino]propan-1-ol;hydrochloride (CID 71299310) is 3-[(3-nitro-2-pyridinyl)amino]propan-1-ol;hydrochloride.
What is the SMILES notation for 3-[(3-nitro-2-pyridinyl)amino]propan-1-ol;hydrochloride?
The canonical SMILES for 3-[(3-nitro-2-pyridinyl)amino]propan-1-ol;hydrochloride is Cl.O=[N+]([O-])c1cccnc1NCCCO.
What is the InChIKey of 3-[(3-nitro-2-pyridinyl)amino]propan-1-ol;hydrochloride?
The InChIKey is JZKJKRSJOQDARC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O3.ClH/c12-6-2-5-10-8-7(11(13)14)3-1-4-9-8;/h1,3-4,12H,2,5-6H2,(H,9,10);1H.
What are the key properties of 3-[(3-nitro-2-pyridinyl)amino]propan-1-ol;hydrochloride?
3-[(3-nitro-2-pyridinyl)amino]propan-1-ol;hydrochloride has a molecular weight of 233.65 g/mol, XLogP of 1.21, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-nitro-2-pyridinyl)amino]propan-1-ol;hydrochloride is sourced from PubChem (CID 71299310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).