1-cyclopropyl-2-[(3-nitro-4-pyridinyl)amino]ethanol

C10H13N3O3 — CID 63239113

IUPAC1-cyclopropyl-2-[(3-nitro-4-pyridinyl)amino]ethanol
SMILESO=[N+]([O-])c1cnccc1NCC(O)C1CC1
InChIInChI=1S/C10H13N3O3/c14-10(7-1-2-7)6-12-8-3-4-11-5-9(8)13(15)16/h3-5,7,10,14H,1-2,6H2,(H,11,12)
InChIKeyVIFXRXHYGFWPOF-UHFFFAOYSA-N
MW223.23 g/mol
LogP1.17
Rot. Bonds5

About 1-cyclopropyl-2-[(3-nitro-4-pyridinyl)amino]ethanol

1-cyclopropyl-2-[(3-nitro-4-pyridinyl)amino]ethanol (PubChem CID 63239113) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is 1-cyclopropyl-2-[(3-nitro-4-pyridinyl)amino]ethanol.

Molecular Properties

Compound Name1-cyclopropyl-2-[(3-nitro-4-pyridinyl)amino]ethanol
PubChem CID63239113
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC Name1-cyclopropyl-2-[(3-nitro-4-pyridinyl)amino]ethanol
SMILESO=[N+]([O-])c1cnccc1NCC(O)C1CC1
InChIInChI=1S/C10H13N3O3/c14-10(7-1-2-7)6-12-8-3-4-11-5-9(8)13(15)16/h3-5,7,10,14H,1-2,6H2,(H,11,12)
InChIKeyVIFXRXHYGFWPOF-UHFFFAOYSA-N
XLogP1.17
TPSA88.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 51.17
H-Bond Donors ≤ 52
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'}

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Related Compounds

1,1-difluoro-3-[(3-nitro-4-pyridinyl)amino]propan-2-ol
CID 103731329
N-cyclopropyl-N'-(3-nitro-4-pyridinyl)ethane-1,2-diamine
CID 62663408
3-[(3-nitro-4-pyridinyl)amino]-2-phenylpropanoic acid
CID 62877447
N-(2-chloroprop-2-enyl)-3-nitropyridin-4-amine
CID 115637264
N-(2-methylprop-2-enyl)-3-nitropyridin-4-amine
CID 114617697
4-[(3-nitro-4-pyridinyl)amino]butan-1-ol
CID 19864513
N-(2-cyclopropylpropyl)-5-nitroisoquinolin-8-amine
CID 103141896
N-cyclopropyl-4-[(3-nitro-4-pyridinyl)amino]butanamide
CID 78920193
3-nitro-N-piperidin-4-ylpyridin-4-amine
CID 43167668
6-[(3-nitro-4-pyridinyl)amino]hexan-1-ol
CID 103918222
3-nitro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyridin-4-amine
CID 79363161
1-cyclopropyl-2-(3-hydrazinyl-2-nitroanilino)ethanol
CID 80914199

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-[(3-nitro-4-pyridinyl)amino]ethanol?
The IUPAC name of 1-cyclopropyl-2-[(3-nitro-4-pyridinyl)amino]ethanol (CID 63239113) is 1-cyclopropyl-2-[(3-nitro-4-pyridinyl)amino]ethanol.
What is the SMILES notation for 1-cyclopropyl-2-[(3-nitro-4-pyridinyl)amino]ethanol?
The canonical SMILES for 1-cyclopropyl-2-[(3-nitro-4-pyridinyl)amino]ethanol is O=[N+]([O-])c1cnccc1NCC(O)C1CC1.
What is the InChIKey of 1-cyclopropyl-2-[(3-nitro-4-pyridinyl)amino]ethanol?
The InChIKey is VIFXRXHYGFWPOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3/c14-10(7-1-2-7)6-12-8-3-4-11-5-9(8)13(15)16/h3-5,7,10,14H,1-2,6H2,(H,11,12).
What are the key properties of 1-cyclopropyl-2-[(3-nitro-4-pyridinyl)amino]ethanol?
1-cyclopropyl-2-[(3-nitro-4-pyridinyl)amino]ethanol has a molecular weight of 223.23 g/mol, XLogP of 1.17, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-[(3-nitro-4-pyridinyl)amino]ethanol is sourced from PubChem (CID 63239113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).