1,1,1-trifluoro-3-[(2-nitro-3-pyridinyl)amino]propan-2-ol

C8H8F3N3O3 — CID 113224700

IUPAC1,1,1-trifluoro-3-[(2-nitro-3-pyridinyl)amino]propan-2-ol
SMILESO=[N+]([O-])c1ncccc1NCC(O)C(F)(F)F
InChIInChI=1S/C8H8F3N3O3/c9-8(10,11)6(15)4-13-5-2-1-3-12-7(5)14(16)17/h1-3,6,13,15H,4H2
InChIKeyDSOICVQZIARIRH-UHFFFAOYSA-N
MW251.16 g/mol
LogP1.32
Rot. Bonds4

About 1,1,1-trifluoro-3-[(2-nitro-3-pyridinyl)amino]propan-2-ol

1,1,1-trifluoro-3-[(2-nitro-3-pyridinyl)amino]propan-2-ol (PubChem CID 113224700) has the molecular formula C8H8F3N3O3 and a molecular weight of 251.16 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-[(2-nitro-3-pyridinyl)amino]propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-[(2-nitro-3-pyridinyl)amino]propan-2-ol
PubChem CID113224700
Molecular FormulaC8H8F3N3O3
Molecular Weight251.16 g/mol
Exact Mass251.05
IUPAC Name1,1,1-trifluoro-3-[(2-nitro-3-pyridinyl)amino]propan-2-ol
SMILESO=[N+]([O-])c1ncccc1NCC(O)C(F)(F)F
InChIInChI=1S/C8H8F3N3O3/c9-8(10,11)6(15)4-13-5-2-1-3-12-7(5)14(16)17/h1-3,6,13,15H,4H2
InChIKeyDSOICVQZIARIRH-UHFFFAOYSA-N
XLogP1.32
TPSA88.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.16
LogP ≤ 51.32
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

3-[(2-nitro-3-pyridinyl)amino]propane-1,2-diol
CID 115871237
2-nitro-N-(2,2,3,3-tetrafluoropropyl)pyridin-3-amine
CID 106293612
2-N,2-N-dimethyl-1-N-(2-nitro-3-pyridinyl)propane-1,2-diamine
CID 115586001
N-(2,2-dimethoxyethyl)-2-nitropyridin-3-amine
CID 107390155
2-nitro-N-[[4-(trifluoromethyl)phenyl]methyl]pyridin-3-amine
CID 115585839
3-[[(2-nitro-3-pyridinyl)amino]methyl]pentan-1-ol
CID 112698378
N-(2-cyclopropylpropyl)-2-nitropyridin-3-amine
CID 115591421
2,4-dimethyl-1-[(2-nitro-3-pyridinyl)amino]pentan-2-ol
CID 113424897
2-[(3,3,3-trifluoro-2-hydroxypropyl)amino]pyridine-3-carboxamide
CID 113227750
N,2,2-trimethyl-3-[(2-nitro-3-pyridinyl)amino]propanamide
CID 103823304
1,1,1-trifluoro-3-[(5-nitropyrimidin-2-yl)amino]propan-2-ol
CID 113434396
N-(cyclopropylmethyl)-2-nitropyridin-3-amine
CID 119030468

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-[(2-nitro-3-pyridinyl)amino]propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-[(2-nitro-3-pyridinyl)amino]propan-2-ol (CID 113224700) is 1,1,1-trifluoro-3-[(2-nitro-3-pyridinyl)amino]propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-[(2-nitro-3-pyridinyl)amino]propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-[(2-nitro-3-pyridinyl)amino]propan-2-ol is O=[N+]([O-])c1ncccc1NCC(O)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-3-[(2-nitro-3-pyridinyl)amino]propan-2-ol?
The InChIKey is DSOICVQZIARIRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3N3O3/c9-8(10,11)6(15)4-13-5-2-1-3-12-7(5)14(16)17/h1-3,6,13,15H,4H2.
What are the key properties of 1,1,1-trifluoro-3-[(2-nitro-3-pyridinyl)amino]propan-2-ol?
1,1,1-trifluoro-3-[(2-nitro-3-pyridinyl)amino]propan-2-ol has a molecular weight of 251.16 g/mol, XLogP of 1.32, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-[(2-nitro-3-pyridinyl)amino]propan-2-ol is sourced from PubChem (CID 113224700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).