2-[(2S)-2-cyclopropyl-3-nitropropyl]pyridine

C11H14N2O2 — CID 66668058

IUPAC2-[(2S)-2-cyclopropyl-3-nitropropyl]pyridine
SMILESO=[N+]([O-])C[C@@H](Cc1ccccn1)C1CC1
InChIInChI=1S/C11H14N2O2/c14-13(15)8-10(9-4-5-9)7-11-3-1-2-6-12-11/h1-3,6,9-10H,4-5,7-8H2/t10-/m1/s1
InChIKeyGXQKGLVOWUDVOU-SNVBAGLBSA-N
MW206.24 g/mol
LogP1.93
Rot. Bonds5

About 2-[(2S)-2-cyclopropyl-3-nitropropyl]pyridine

2-[(2S)-2-cyclopropyl-3-nitropropyl]pyridine (PubChem CID 66668058) has the molecular formula C11H14N2O2 and a molecular weight of 206.24 g/mol. Its IUPAC name is 2-[(2S)-2-cyclopropyl-3-nitropropyl]pyridine.

Molecular Properties

Compound Name2-[(2S)-2-cyclopropyl-3-nitropropyl]pyridine
PubChem CID66668058
Molecular FormulaC11H14N2O2
Molecular Weight206.24 g/mol
Exact Mass206.11
IUPAC Name2-[(2S)-2-cyclopropyl-3-nitropropyl]pyridine
SMILESO=[N+]([O-])C[C@@H](Cc1ccccn1)C1CC1
InChIInChI=1S/C11H14N2O2/c14-13(15)8-10(9-4-5-9)7-11-3-1-2-6-12-11/h1-3,6,9-10H,4-5,7-8H2/t10-/m1/s1
InChIKeyGXQKGLVOWUDVOU-SNVBAGLBSA-N
XLogP1.93
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(2-bromo-3-cyclopropylbutyl)pyridine
CID 83152951
2-(2-cyclopropyl-3-methylbutyl)pyridine
CID 54206046
1-cyclopropyl-N-methyl-2-pyridin-2-ylethanamine
CID 63352689
2-(2-cyclopentyloctyl)pyridine
CID 57318579
3-cyclopropyl-1-pyridin-2-ylbutan-2-amine
CID 83155129
2-(1-nitropropan-2-yl)pyridine
CID 67238312
1-(4-tert-butylcyclohexyl)-2-pyridin-2-ylethanamine
CID 62718393
[1-(4-methylcyclohexyl)-2-pyridin-2-ylethyl]hydrazine
CID 105199922
1-cyclohexyl-N-methyl-2-pyridin-2-ylethanamine
CID 60819908
2-(1-cyclopropylethoxymethyl)pyridine
CID 88973388
N-methyl-1-(oxolan-3-yl)-2-pyridin-2-ylethanamine
CID 63563236
[1-(7-bicyclo[4.1.0]heptanyl)-2-pyridin-2-ylethyl]hydrazine
CID 105315370

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-cyclopropyl-3-nitropropyl]pyridine?
The IUPAC name of 2-[(2S)-2-cyclopropyl-3-nitropropyl]pyridine (CID 66668058) is 2-[(2S)-2-cyclopropyl-3-nitropropyl]pyridine.
What is the SMILES notation for 2-[(2S)-2-cyclopropyl-3-nitropropyl]pyridine?
The canonical SMILES for 2-[(2S)-2-cyclopropyl-3-nitropropyl]pyridine is O=[N+]([O-])C[C@@H](Cc1ccccn1)C1CC1.
What is the InChIKey of 2-[(2S)-2-cyclopropyl-3-nitropropyl]pyridine?
The InChIKey is GXQKGLVOWUDVOU-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H14N2O2/c14-13(15)8-10(9-4-5-9)7-11-3-1-2-6-12-11/h1-3,6,9-10H,4-5,7-8H2/t10-/m1/s1.
What are the key properties of 2-[(2S)-2-cyclopropyl-3-nitropropyl]pyridine?
2-[(2S)-2-cyclopropyl-3-nitropropyl]pyridine has a molecular weight of 206.24 g/mol, XLogP of 1.93, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-cyclopropyl-3-nitropropyl]pyridine is sourced from PubChem (CID 66668058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).