2-methyl-2-[[3-nitro-5-(trifluoromethyl)-2-pyridinyl]amino]propan-1-ol

C10H12F3N3O3 — CID 70015455

IUPAC2-methyl-2-[[3-nitro-5-(trifluoromethyl)-2-pyridinyl]amino]propan-1-ol
SMILESCC(C)(CO)Nc1ncc(C(F)(F)F)cc1[N+](=O)[O-]
InChIInChI=1S/C10H12F3N3O3/c1-9(2,5-17)15-8-7(16(18)19)3-6(4-14-8)10(11,12)13/h3-4,17H,5H2,1-2H3,(H,14,15)
InChIKeyAURHXFUJLREKSW-UHFFFAOYSA-N
MW279.22 g/mol
LogP2.19
Rot. Bonds4

About 2-methyl-2-[[3-nitro-5-(trifluoromethyl)-2-pyridinyl]amino]propan-1-ol

2-methyl-2-[[3-nitro-5-(trifluoromethyl)-2-pyridinyl]amino]propan-1-ol (PubChem CID 70015455) has the molecular formula C10H12F3N3O3 and a molecular weight of 279.22 g/mol. Its IUPAC name is 2-methyl-2-[[3-nitro-5-(trifluoromethyl)-2-pyridinyl]amino]propan-1-ol.

Molecular Properties

Compound Name2-methyl-2-[[3-nitro-5-(trifluoromethyl)-2-pyridinyl]amino]propan-1-ol
PubChem CID70015455
Molecular FormulaC10H12F3N3O3
Molecular Weight279.22 g/mol
Exact Mass279.08
IUPAC Name2-methyl-2-[[3-nitro-5-(trifluoromethyl)-2-pyridinyl]amino]propan-1-ol
SMILESCC(C)(CO)Nc1ncc(C(F)(F)F)cc1[N+](=O)[O-]
InChIInChI=1S/C10H12F3N3O3/c1-9(2,5-17)15-8-7(16(18)19)3-6(4-14-8)10(11,12)13/h3-4,17H,5H2,1-2H3,(H,14,15)
InChIKeyAURHXFUJLREKSW-UHFFFAOYSA-N
XLogP2.19
TPSA88.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.22
LogP ≤ 52.19
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-[[3-nitro-5-(trifluoromethyl)-2-pyridinyl]amino]propan-1-ol?
The IUPAC name of 2-methyl-2-[[3-nitro-5-(trifluoromethyl)-2-pyridinyl]amino]propan-1-ol (CID 70015455) is 2-methyl-2-[[3-nitro-5-(trifluoromethyl)-2-pyridinyl]amino]propan-1-ol.
What is the SMILES notation for 2-methyl-2-[[3-nitro-5-(trifluoromethyl)-2-pyridinyl]amino]propan-1-ol?
The canonical SMILES for 2-methyl-2-[[3-nitro-5-(trifluoromethyl)-2-pyridinyl]amino]propan-1-ol is CC(C)(CO)Nc1ncc(C(F)(F)F)cc1[N+](=O)[O-].
What is the InChIKey of 2-methyl-2-[[3-nitro-5-(trifluoromethyl)-2-pyridinyl]amino]propan-1-ol?
The InChIKey is AURHXFUJLREKSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3O3/c1-9(2,5-17)15-8-7(16(18)19)3-6(4-14-8)10(11,12)13/h3-4,17H,5H2,1-2H3,(H,14,15).
What are the key properties of 2-methyl-2-[[3-nitro-5-(trifluoromethyl)-2-pyridinyl]amino]propan-1-ol?
2-methyl-2-[[3-nitro-5-(trifluoromethyl)-2-pyridinyl]amino]propan-1-ol has a molecular weight of 279.22 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[[3-nitro-5-(trifluoromethyl)-2-pyridinyl]amino]propan-1-ol is sourced from PubChem (CID 70015455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).