2-methyl-2-[(6-methyl-5-nitro-2-pyridinyl)amino]propan-1-ol

C10H15N3O3 — CID 4558737

IUPAC2-methyl-2-[(6-methyl-5-nitro-2-pyridinyl)amino]propan-1-ol
SMILESCc1nc(NC(C)(C)CO)ccc1[N+](=O)[O-]
InChIInChI=1S/C10H15N3O3/c1-7-8(13(15)16)4-5-9(11-7)12-10(2,3)6-14/h4-5,14H,6H2,1-3H3,(H,11,12)
InChIKeyHJGFJRPRXSOHQU-UHFFFAOYSA-N
MW225.25 g/mol
LogP1.48
Rot. Bonds4

About 2-methyl-2-[(6-methyl-5-nitro-2-pyridinyl)amino]propan-1-ol

2-methyl-2-[(6-methyl-5-nitro-2-pyridinyl)amino]propan-1-ol (PubChem CID 4558737) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is 2-methyl-2-[(6-methyl-5-nitro-2-pyridinyl)amino]propan-1-ol.

Molecular Properties

Compound Name2-methyl-2-[(6-methyl-5-nitro-2-pyridinyl)amino]propan-1-ol
PubChem CID4558737
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name2-methyl-2-[(6-methyl-5-nitro-2-pyridinyl)amino]propan-1-ol
SMILESCc1nc(NC(C)(C)CO)ccc1[N+](=O)[O-]
InChIInChI=1S/C10H15N3O3/c1-7-8(13(15)16)4-5-9(11-7)12-10(2,3)6-14/h4-5,14H,6H2,1-3H3,(H,11,12)
InChIKeyHJGFJRPRXSOHQU-UHFFFAOYSA-N
XLogP1.48
TPSA88.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 51.48
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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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(6-methyl-5-nitro-2-pyridinyl)amino]propan-1-ol?
The IUPAC name of 2-methyl-2-[(6-methyl-5-nitro-2-pyridinyl)amino]propan-1-ol (CID 4558737) is 2-methyl-2-[(6-methyl-5-nitro-2-pyridinyl)amino]propan-1-ol.
What is the SMILES notation for 2-methyl-2-[(6-methyl-5-nitro-2-pyridinyl)amino]propan-1-ol?
The canonical SMILES for 2-methyl-2-[(6-methyl-5-nitro-2-pyridinyl)amino]propan-1-ol is Cc1nc(NC(C)(C)CO)ccc1[N+](=O)[O-].
What is the InChIKey of 2-methyl-2-[(6-methyl-5-nitro-2-pyridinyl)amino]propan-1-ol?
The InChIKey is HJGFJRPRXSOHQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-7-8(13(15)16)4-5-9(11-7)12-10(2,3)6-14/h4-5,14H,6H2,1-3H3,(H,11,12).
What are the key properties of 2-methyl-2-[(6-methyl-5-nitro-2-pyridinyl)amino]propan-1-ol?
2-methyl-2-[(6-methyl-5-nitro-2-pyridinyl)amino]propan-1-ol has a molecular weight of 225.25 g/mol, XLogP of 1.48, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(6-methyl-5-nitro-2-pyridinyl)amino]propan-1-ol is sourced from PubChem (CID 4558737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).