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

C11H17N3O3 — CID 11424958

IUPAC2-[(6-methyl-5-nitro-2-pyridinyl)amino]pentan-1-ol
SMILESCCCC(CO)Nc1ccc([N+](=O)[O-])c(C)n1
InChIInChI=1S/C11H17N3O3/c1-3-4-9(7-15)13-11-6-5-10(14(16)17)8(2)12-11/h5-6,9,15H,3-4,7H2,1-2H3,(H,12,13)
InChIKeyQGWIOBGJXHKVKS-UHFFFAOYSA-N
MW239.27 g/mol
LogP1.87
Rot. Bonds6

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

2-[(6-methyl-5-nitro-2-pyridinyl)amino]pentan-1-ol (PubChem CID 11424958) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 2-[(6-methyl-5-nitro-2-pyridinyl)amino]pentan-1-ol.

Molecular Properties

Compound Name2-[(6-methyl-5-nitro-2-pyridinyl)amino]pentan-1-ol
PubChem CID11424958
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name2-[(6-methyl-5-nitro-2-pyridinyl)amino]pentan-1-ol
SMILESCCCC(CO)Nc1ccc([N+](=O)[O-])c(C)n1
InChIInChI=1S/C11H17N3O3/c1-3-4-9(7-15)13-11-6-5-10(14(16)17)8(2)12-11/h5-6,9,15H,3-4,7H2,1-2H3,(H,12,13)
InChIKeyQGWIOBGJXHKVKS-UHFFFAOYSA-N
XLogP1.87
TPSA88.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 51.87
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

(2R)-2-[(6-methyl-5-nitro-2-pyridinyl)amino]hexan-1-ol
CID 11161107
2-[(6-methyl-5-nitro-2-pyridinyl)amino]butan-1-ol
CID 69321388
N-hex-1-yn-3-yl-6-methyl-5-nitropyridin-2-amine
CID 106231548
(2R)-3-methyl-2-[(6-methyl-5-nitro-2-pyridinyl)amino]butan-1-ol
CID 11447797
2-[(6-amino-5-nitro-2-pyridinyl)amino]butan-1-ol
CID 79827629
3-[(6-methyl-5-nitro-2-pyridinyl)amino]-2-methylsulfanylbutan-1-ol
CID 103764733
2-(4-methoxyphenyl)-2-[(6-methyl-5-nitro-2-pyridinyl)amino]ethanol
CID 84588442
N-(4-methoxybutan-2-yl)-6-methyl-5-nitropyridin-2-amine
CID 80712210
N-(1-ethoxypropan-2-yl)-6-methyl-5-nitropyridin-2-amine
CID 80712316
1-[(6-methyl-5-nitro-2-pyridinyl)amino]butan-2-ol
CID 11436054
(2R)-2-[methyl-(6-methyl-5-nitro-2-pyridinyl)amino]propan-1-ol
CID 97329550
N-(1-cyclopropylethyl)-6-methyl-5-nitropyridin-2-amine
CID 80718382

Frequently Asked Questions

What is the IUPAC name of 2-[(6-methyl-5-nitro-2-pyridinyl)amino]pentan-1-ol?
The IUPAC name of 2-[(6-methyl-5-nitro-2-pyridinyl)amino]pentan-1-ol (CID 11424958) is 2-[(6-methyl-5-nitro-2-pyridinyl)amino]pentan-1-ol.
What is the SMILES notation for 2-[(6-methyl-5-nitro-2-pyridinyl)amino]pentan-1-ol?
The canonical SMILES for 2-[(6-methyl-5-nitro-2-pyridinyl)amino]pentan-1-ol is CCCC(CO)Nc1ccc([N+](=O)[O-])c(C)n1.
What is the InChIKey of 2-[(6-methyl-5-nitro-2-pyridinyl)amino]pentan-1-ol?
The InChIKey is QGWIOBGJXHKVKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-3-4-9(7-15)13-11-6-5-10(14(16)17)8(2)12-11/h5-6,9,15H,3-4,7H2,1-2H3,(H,12,13).
What are the key properties of 2-[(6-methyl-5-nitro-2-pyridinyl)amino]pentan-1-ol?
2-[(6-methyl-5-nitro-2-pyridinyl)amino]pentan-1-ol has a molecular weight of 239.27 g/mol, XLogP of 1.87, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methyl-5-nitro-2-pyridinyl)amino]pentan-1-ol is sourced from PubChem (CID 11424958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).