5-nitropyridin-3-amine;hydrochloride

C5H6ClN3O2 — CID 53408315

IUPAC5-nitropyridin-3-amine;hydrochloride
SMILESCl.Nc1cncc([N+](=O)[O-])c1
InChIInChI=1S/C5H5N3O2.ClH/c6-4-1-5(8(9)10)3-7-2-4;/h1-3H,6H2;1H
InChIKeyONHDBLKSXWWPMB-UHFFFAOYSA-N
MW175.58 g/mol
LogP0.99
Rot. Bonds1

About 5-nitropyridin-3-amine;hydrochloride

5-nitropyridin-3-amine;hydrochloride (PubChem CID 53408315) has the molecular formula C5H6ClN3O2 and a molecular weight of 175.58 g/mol. Its IUPAC name is 5-nitropyridin-3-amine;hydrochloride.

Molecular Properties

Compound Name5-nitropyridin-3-amine;hydrochloride
PubChem CID53408315
Molecular FormulaC5H6ClN3O2
Molecular Weight175.58 g/mol
Exact Mass175.01
IUPAC Name5-nitropyridin-3-amine;hydrochloride
SMILESCl.Nc1cncc([N+](=O)[O-])c1
InChIInChI=1S/C5H5N3O2.ClH/c6-4-1-5(8(9)10)3-7-2-4;/h1-3H,6H2;1H
InChIKeyONHDBLKSXWWPMB-UHFFFAOYSA-N
XLogP0.99
TPSA82.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.58
LogP ≤ 50.99
H-Bond Donors ≤ 51
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'}

Analyze 5-nitropyridin-3-amine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R)-1-(5-nitro-3-pyridinyl)ethanamine
CID 96849811
3-methyl-5-(5-nitro-3-pyridinyl)pyridine
CID 70542903
3-bromo-5-nitroaniline;hydrochloride
CID 112756585
5-amino-N-methylpyridine-3-carboxamide;5-(methylaminomethyl)pyridin-3-amine;N-methyl-5-nitropyridine-3-carboxamide;5-nitropyridine-3-carboxylic acid
CID 160630622
N-methyl-5-nitropyridine-3-carboxamide
CID 21405292
molecular nitrogen;4-nitroaniline;hydrochloride
CID 175091269
5-(2-nitrophenoxy)pyridin-3-amine
CID 104536596
3-(5-methyl-1H-pyrrol-2-yl)-5-nitropyridine
CID 172593409
cyclopropane;3-nitroaniline
CID 175468087
2-chloro-5-nitropyrimidine;2-chloropyrimidin-5-amine
CID 158095022
4-(4-amino-3-nitrophenyl)-2-nitroaniline
CID 3106720
isoquinolin-7-amine;7-nitroisoquinoline
CID 23211043

Frequently Asked Questions

What is the IUPAC name of 5-nitropyridin-3-amine;hydrochloride?
The IUPAC name of 5-nitropyridin-3-amine;hydrochloride (CID 53408315) is 5-nitropyridin-3-amine;hydrochloride.
What is the SMILES notation for 5-nitropyridin-3-amine;hydrochloride?
The canonical SMILES for 5-nitropyridin-3-amine;hydrochloride is Cl.Nc1cncc([N+](=O)[O-])c1.
What is the InChIKey of 5-nitropyridin-3-amine;hydrochloride?
The InChIKey is ONHDBLKSXWWPMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N3O2.ClH/c6-4-1-5(8(9)10)3-7-2-4;/h1-3H,6H2;1H.
What are the key properties of 5-nitropyridin-3-amine;hydrochloride?
5-nitropyridin-3-amine;hydrochloride has a molecular weight of 175.58 g/mol, XLogP of 0.99, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitropyridin-3-amine;hydrochloride is sourced from PubChem (CID 53408315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).