(1R)-1-(2-nitro-3-pyridinyl)butan-1-amine

C9H13N3O2 — CID 55262751

IUPAC(1R)-1-(2-nitro-3-pyridinyl)butan-1-amine
SMILESCCC[C@@H](N)c1cccnc1[N+](=O)[O-]
InChIInChI=1S/C9H13N3O2/c1-2-4-8(10)7-5-3-6-11-9(7)12(13)14/h3,5-6,8H,2,4,10H2,1H3/t8-/m1/s1
InChIKeyRUHQTYXHZXDEKH-MRVPVSSYSA-N
MW195.22 g/mol
LogP1.79
Rot. Bonds4

About (1R)-1-(2-nitro-3-pyridinyl)butan-1-amine

(1R)-1-(2-nitro-3-pyridinyl)butan-1-amine (PubChem CID 55262751) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is (1R)-1-(2-nitro-3-pyridinyl)butan-1-amine.

Molecular Properties

Compound Name(1R)-1-(2-nitro-3-pyridinyl)butan-1-amine
PubChem CID55262751
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name(1R)-1-(2-nitro-3-pyridinyl)butan-1-amine
SMILESCCC[C@@H](N)c1cccnc1[N+](=O)[O-]
InChIInChI=1S/C9H13N3O2/c1-2-4-8(10)7-5-3-6-11-9(7)12(13)14/h3,5-6,8H,2,4,10H2,1H3/t8-/m1/s1
InChIKeyRUHQTYXHZXDEKH-MRVPVSSYSA-N
XLogP1.79
TPSA82.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 51.79
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

(1R)-1-(2-chloro-3-pyridinyl)butan-1-amine
CID 55277738
1-(2-ethoxy-3-pyridinyl)butan-1-amine
CID 55296374
1-quinolin-8-ylbutan-1-amine
CID 79016206
1-(2-nitro-3-pyridinyl)butane-1,2,4-triol
CID 171872287
(1R)-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)butan-1-amine
CID 131140420
3-chloro-1-(2-nitro-3-pyridinyl)propane-1,2-diol
CID 171862021
(1R)-1-(2-chloro-3-pyridinyl)hexan-1-amine
CID 171198991
(1S)-1-(2-chloro-3-pyridinyl)pentan-1-amine;hydrochloride
CID 171218513
(1S)-1-(2-chloro-3-pyridinyl)hexan-1-amine
CID 171218514
6-[(1R)-1-aminobutyl]-3-methyl-2-nitrophenol
CID 171258607
3-methylsulfanyl-2-nitropyridine
CID 130771705
N-heptan-2-yl-2-nitropyridin-3-amine
CID 112686460

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2-nitro-3-pyridinyl)butan-1-amine?
The IUPAC name of (1R)-1-(2-nitro-3-pyridinyl)butan-1-amine (CID 55262751) is (1R)-1-(2-nitro-3-pyridinyl)butan-1-amine.
What is the SMILES notation for (1R)-1-(2-nitro-3-pyridinyl)butan-1-amine?
The canonical SMILES for (1R)-1-(2-nitro-3-pyridinyl)butan-1-amine is CCC[C@@H](N)c1cccnc1[N+](=O)[O-].
What is the InChIKey of (1R)-1-(2-nitro-3-pyridinyl)butan-1-amine?
The InChIKey is RUHQTYXHZXDEKH-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-2-4-8(10)7-5-3-6-11-9(7)12(13)14/h3,5-6,8H,2,4,10H2,1H3/t8-/m1/s1.
What are the key properties of (1R)-1-(2-nitro-3-pyridinyl)butan-1-amine?
(1R)-1-(2-nitro-3-pyridinyl)butan-1-amine has a molecular weight of 195.22 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2-nitro-3-pyridinyl)butan-1-amine is sourced from PubChem (CID 55262751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).