3-(5-nitro-2-pyridinyl)butan-2-amine

C9H13N3O2 — CID 63198306

IUPAC3-(5-nitro-2-pyridinyl)butan-2-amine
SMILESCC(N)C(C)c1ccc([N+](=O)[O-])cn1
InChIInChI=1S/C9H13N3O2/c1-6(7(2)10)9-4-3-8(5-11-9)12(13)14/h3-7H,10H2,1-2H3
InChIKeyWZBRCGIBTTUNCZ-UHFFFAOYSA-N
MW195.22 g/mol
LogP1.44
Rot. Bonds3

About 3-(5-nitro-2-pyridinyl)butan-2-amine

3-(5-nitro-2-pyridinyl)butan-2-amine (PubChem CID 63198306) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 3-(5-nitro-2-pyridinyl)butan-2-amine.

Molecular Properties

Compound Name3-(5-nitro-2-pyridinyl)butan-2-amine
PubChem CID63198306
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name3-(5-nitro-2-pyridinyl)butan-2-amine
SMILESCC(N)C(C)c1ccc([N+](=O)[O-])cn1
InChIInChI=1S/C9H13N3O2/c1-6(7(2)10)9-4-3-8(5-11-9)12(13)14/h3-7H,10H2,1-2H3
InChIKeyWZBRCGIBTTUNCZ-UHFFFAOYSA-N
XLogP1.44
TPSA82.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 51.44
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

2-(5-nitro-2-pyridinyl)pentan-3-amine
CID 63550334
N-methyl-3-(5-nitro-2-pyridinyl)butan-2-amine
CID 63199360
2-methoxy-1-(5-nitro-2-pyridinyl)ethanamine
CID 55271501
(1R)-2-methoxy-1-(5-nitro-2-pyridinyl)ethanamine
CID 55271925
(2R)-1-(5-nitro-2-pyridinyl)propan-2-amine
CID 95028659
4-methyl-2-(5-nitro-2-pyridinyl)pentanoic acid
CID 104571787
3,3-dimethyl-2-(5-nitro-2-pyridinyl)butanoic acid
CID 118156200
2-(1-methylpyrrol-2-yl)-1-(5-nitro-2-pyridinyl)ethanamine
CID 70500566
2-decan-5-yl-5-nitropyridine
CID 129070870
3-chloro-1-(5-nitro-2-pyridinyl)propane-1,2-diol
CID 171862025
2-(1-bromoethyl)-5-(4-nitrophenyl)pyridine
CID 86680625
ethane;2-methyl-5-nitropyridine
CID 123657002

Frequently Asked Questions

What is the IUPAC name of 3-(5-nitro-2-pyridinyl)butan-2-amine?
The IUPAC name of 3-(5-nitro-2-pyridinyl)butan-2-amine (CID 63198306) is 3-(5-nitro-2-pyridinyl)butan-2-amine.
What is the SMILES notation for 3-(5-nitro-2-pyridinyl)butan-2-amine?
The canonical SMILES for 3-(5-nitro-2-pyridinyl)butan-2-amine is CC(N)C(C)c1ccc([N+](=O)[O-])cn1.
What is the InChIKey of 3-(5-nitro-2-pyridinyl)butan-2-amine?
The InChIKey is WZBRCGIBTTUNCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-6(7(2)10)9-4-3-8(5-11-9)12(13)14/h3-7H,10H2,1-2H3.
What are the key properties of 3-(5-nitro-2-pyridinyl)butan-2-amine?
3-(5-nitro-2-pyridinyl)butan-2-amine has a molecular weight of 195.22 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-nitro-2-pyridinyl)butan-2-amine is sourced from PubChem (CID 63198306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).