(2R)-1-(5-nitro-2-pyridinyl)propan-2-amine

C8H11N3O2 — CID 95028659

IUPAC(2R)-1-(5-nitro-2-pyridinyl)propan-2-amine
SMILESC[C@@H](N)Cc1ccc([N+](=O)[O-])cn1
InChIInChI=1S/C8H11N3O2/c1-6(9)4-7-2-3-8(5-10-7)11(12)13/h2-3,5-6H,4,9H2,1H3/t6-/m1/s1
InChIKeyUHGDXLCQXMYQGH-ZCFIWIBFSA-N
MW181.19 g/mol
LogP0.88
Rot. Bonds3

About (2R)-1-(5-nitro-2-pyridinyl)propan-2-amine

(2R)-1-(5-nitro-2-pyridinyl)propan-2-amine (PubChem CID 95028659) has the molecular formula C8H11N3O2 and a molecular weight of 181.19 g/mol. Its IUPAC name is (2R)-1-(5-nitro-2-pyridinyl)propan-2-amine.

Molecular Properties

Compound Name(2R)-1-(5-nitro-2-pyridinyl)propan-2-amine
PubChem CID95028659
Molecular FormulaC8H11N3O2
Molecular Weight181.19 g/mol
Exact Mass181.09
IUPAC Name(2R)-1-(5-nitro-2-pyridinyl)propan-2-amine
SMILESC[C@@H](N)Cc1ccc([N+](=O)[O-])cn1
InChIInChI=1S/C8H11N3O2/c1-6(9)4-7-2-3-8(5-10-7)11(12)13/h2-3,5-6H,4,9H2,1H3/t6-/m1/s1
InChIKeyUHGDXLCQXMYQGH-ZCFIWIBFSA-N
XLogP0.88
TPSA82.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 50.88
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'}

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Related Compounds

3,3-dimethyl-1-(5-nitro-2-pyridinyl)butan-2-amine
CID 63196346
2-(2-chloropropyl)-5-nitropyridine
CID 63205077
2-(5-nitro-2-pyridinyl)-1-phenylethanamine
CID 55162185
N-methyl-1-(5-nitro-2-pyridinyl)methanamine
CID 144940815
1-[2-(4-nitrophenyl)pyrimidin-4-yl]propan-2-amine
CID 62746794
3-(5-nitro-2-pyridinyl)butan-2-amine
CID 63198306
2-(5-nitro-2-pyridinyl)pentan-3-amine
CID 63550334
1-(6-chloro-5-nitro-2-pyridinyl)propan-2-amine
CID 83886862
1-(5-nitro-2-pyridinyl)butan-2-one
CID 63199129
methane;5-nitropyridin-2-amine
CID 174857781
1-[1-[2-(4-nitrophenyl)ethyl]imidazol-4-yl]propan-2-amine
CID 106721204
2-methoxy-1-(5-nitro-2-pyridinyl)ethanamine
CID 55271501

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(5-nitro-2-pyridinyl)propan-2-amine?
The IUPAC name of (2R)-1-(5-nitro-2-pyridinyl)propan-2-amine (CID 95028659) is (2R)-1-(5-nitro-2-pyridinyl)propan-2-amine.
What is the SMILES notation for (2R)-1-(5-nitro-2-pyridinyl)propan-2-amine?
The canonical SMILES for (2R)-1-(5-nitro-2-pyridinyl)propan-2-amine is C[C@@H](N)Cc1ccc([N+](=O)[O-])cn1.
What is the InChIKey of (2R)-1-(5-nitro-2-pyridinyl)propan-2-amine?
The InChIKey is UHGDXLCQXMYQGH-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H11N3O2/c1-6(9)4-7-2-3-8(5-10-7)11(12)13/h2-3,5-6H,4,9H2,1H3/t6-/m1/s1.
What are the key properties of (2R)-1-(5-nitro-2-pyridinyl)propan-2-amine?
(2R)-1-(5-nitro-2-pyridinyl)propan-2-amine has a molecular weight of 181.19 g/mol, XLogP of 0.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(5-nitro-2-pyridinyl)propan-2-amine is sourced from PubChem (CID 95028659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).