(3R)-3-amino-3-(3-nitro-2-pyridinyl)propanenitrile

C8H8N4O2 — CID 55262389

IUPAC(3R)-3-amino-3-(3-nitro-2-pyridinyl)propanenitrile
SMILESN#CC[C@@H](N)c1ncccc1[N+](=O)[O-]
InChIInChI=1S/C8H8N4O2/c9-4-3-6(10)8-7(12(13)14)2-1-5-11-8/h1-2,5-6H,3,10H2/t6-/m1/s1
InChIKeyQMAZUTJTUIZUDI-ZCFIWIBFSA-N
MW192.18 g/mol
LogP0.90
Rot. Bonds3

About (3R)-3-amino-3-(3-nitro-2-pyridinyl)propanenitrile

(3R)-3-amino-3-(3-nitro-2-pyridinyl)propanenitrile (PubChem CID 55262389) has the molecular formula C8H8N4O2 and a molecular weight of 192.18 g/mol. Its IUPAC name is (3R)-3-amino-3-(3-nitro-2-pyridinyl)propanenitrile.

Molecular Properties

Compound Name(3R)-3-amino-3-(3-nitro-2-pyridinyl)propanenitrile
PubChem CID55262389
Molecular FormulaC8H8N4O2
Molecular Weight192.18 g/mol
Exact Mass192.06
IUPAC Name(3R)-3-amino-3-(3-nitro-2-pyridinyl)propanenitrile
SMILESN#CC[C@@H](N)c1ncccc1[N+](=O)[O-]
InChIInChI=1S/C8H8N4O2/c9-4-3-6(10)8-7(12(13)14)2-1-5-11-8/h1-2,5-6H,3,10H2/t6-/m1/s1
InChIKeyQMAZUTJTUIZUDI-ZCFIWIBFSA-N
XLogP0.90
TPSA105.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.18
LogP ≤ 50.90
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'}

Analyze (3R)-3-amino-3-(3-nitro-2-pyridinyl)propanenitrile 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

(3R)-3-amino-3-(3-fluoro-2-pyridinyl)propanenitrile
CID 55276318
4-methyl-3-(3-nitro-2-pyridinyl)pentan-2-amine
CID 63197530
diethyl 2-(3-nitro-2-pyridinyl)propanedioate
CID 13147345
(3R)-3-amino-3-(2-chloro-3-pyridinyl)propanenitrile;hydrochloride
CID 171260290
4-[(3-nitro-2-pyridinyl)sulfonyl]butanenitrile
CID 154753078
ethyl 2-(3-nitro-2-pyridinyl)-2-sulfanylacetate
CID 139643971
3-(3-nitro-2-pyridinyl)pentan-2-one
CID 63196316
(3S)-3-amino-3-(4-fluoro-3-nitrophenyl)propanenitrile
CID 131558946
(3R)-3-amino-3-(5-nitrothiophen-3-yl)propanenitrile
CID 130987742
2,3-dinitropyridine;hydrazine
CID 175406944
N,4-dimethyl-3-(3-nitro-2-pyridinyl)pentan-2-amine
CID 55161032
(3-nitro-2-pyridinyl)hydrazine
CID 3578935

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-3-(3-nitro-2-pyridinyl)propanenitrile?
The IUPAC name of (3R)-3-amino-3-(3-nitro-2-pyridinyl)propanenitrile (CID 55262389) is (3R)-3-amino-3-(3-nitro-2-pyridinyl)propanenitrile.
What is the SMILES notation for (3R)-3-amino-3-(3-nitro-2-pyridinyl)propanenitrile?
The canonical SMILES for (3R)-3-amino-3-(3-nitro-2-pyridinyl)propanenitrile is N#CC[C@@H](N)c1ncccc1[N+](=O)[O-].
What is the InChIKey of (3R)-3-amino-3-(3-nitro-2-pyridinyl)propanenitrile?
The InChIKey is QMAZUTJTUIZUDI-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H8N4O2/c9-4-3-6(10)8-7(12(13)14)2-1-5-11-8/h1-2,5-6H,3,10H2/t6-/m1/s1.
What are the key properties of (3R)-3-amino-3-(3-nitro-2-pyridinyl)propanenitrile?
(3R)-3-amino-3-(3-nitro-2-pyridinyl)propanenitrile has a molecular weight of 192.18 g/mol, XLogP of 0.90, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-3-(3-nitro-2-pyridinyl)propanenitrile is sourced from PubChem (CID 55262389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).