1-(6-amino-5-nitro-2-pyridinyl)-3,3-dimethylbutan-2-ol

C11H17N3O3 — CID 79816474

IUPAC1-(6-amino-5-nitro-2-pyridinyl)-3,3-dimethylbutan-2-ol
SMILESCC(C)(C)C(O)Cc1ccc([N+](=O)[O-])c(N)n1
InChIInChI=1S/C11H17N3O3/c1-11(2,3)9(15)6-7-4-5-8(14(16)17)10(12)13-7/h4-5,9,15H,6H2,1-3H3,(H2,12,13)
InChIKeyTUBCCLILCVRMRB-UHFFFAOYSA-N
MW239.27 g/mol
LogP1.52
Rot. Bonds3

About 1-(6-amino-5-nitro-2-pyridinyl)-3,3-dimethylbutan-2-ol

1-(6-amino-5-nitro-2-pyridinyl)-3,3-dimethylbutan-2-ol (PubChem CID 79816474) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 1-(6-amino-5-nitro-2-pyridinyl)-3,3-dimethylbutan-2-ol.

Molecular Properties

Compound Name1-(6-amino-5-nitro-2-pyridinyl)-3,3-dimethylbutan-2-ol
PubChem CID79816474
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name1-(6-amino-5-nitro-2-pyridinyl)-3,3-dimethylbutan-2-ol
SMILESCC(C)(C)C(O)Cc1ccc([N+](=O)[O-])c(N)n1
InChIInChI=1S/C11H17N3O3/c1-11(2,3)9(15)6-7-4-5-8(14(16)17)10(12)13-7/h4-5,9,15H,6H2,1-3H3,(H2,12,13)
InChIKeyTUBCCLILCVRMRB-UHFFFAOYSA-N
XLogP1.52
TPSA102.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 51.52
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-[(6-amino-5-nitro-2-pyridinyl)amino]pentan-3-ol
CID 113497685
1-(6-chloro-5-nitro-2-pyridinyl)propan-2-amine
CID 83886862
3,3-dimethyl-1-(8-nitroisoquinolin-5-yl)butan-2-ol
CID 63200945
1-[(6-amino-5-nitro-2-pyridinyl)-methylamino]-2-methylpropan-2-ol
CID 79815724
6-N-(3-methylpentan-3-yl)-3-nitropyridine-2,6-diamine
CID 106329524
1-[(6-amino-5-nitro-2-pyridinyl)amino]-3-methoxypropan-2-ol
CID 79815785
3-[(6-amino-5-nitro-2-pyridinyl)amino]-3-methylbutanamide
CID 106097286
6-N-butyl-3-nitropyridine-2,6-diamine
CID 79827989
3-nitro-6-propan-2-yloxypyridin-2-amine
CID 14551122
3-[(6-amino-5-nitro-2-pyridinyl)sulfanyl]propane-1,2-diol
CID 79815553
tert-butyl N-[2-[(6-amino-5-nitro-2-pyridinyl)sulfanyl]ethyl]carbamate
CID 59312893
methyl 3-[(6-amino-5-nitro-2-pyridinyl)sulfanyl]-2-methylpropanoate
CID 79828136

Frequently Asked Questions

What is the IUPAC name of 1-(6-amino-5-nitro-2-pyridinyl)-3,3-dimethylbutan-2-ol?
The IUPAC name of 1-(6-amino-5-nitro-2-pyridinyl)-3,3-dimethylbutan-2-ol (CID 79816474) is 1-(6-amino-5-nitro-2-pyridinyl)-3,3-dimethylbutan-2-ol.
What is the SMILES notation for 1-(6-amino-5-nitro-2-pyridinyl)-3,3-dimethylbutan-2-ol?
The canonical SMILES for 1-(6-amino-5-nitro-2-pyridinyl)-3,3-dimethylbutan-2-ol is CC(C)(C)C(O)Cc1ccc([N+](=O)[O-])c(N)n1.
What is the InChIKey of 1-(6-amino-5-nitro-2-pyridinyl)-3,3-dimethylbutan-2-ol?
The InChIKey is TUBCCLILCVRMRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-11(2,3)9(15)6-7-4-5-8(14(16)17)10(12)13-7/h4-5,9,15H,6H2,1-3H3,(H2,12,13).
What are the key properties of 1-(6-amino-5-nitro-2-pyridinyl)-3,3-dimethylbutan-2-ol?
1-(6-amino-5-nitro-2-pyridinyl)-3,3-dimethylbutan-2-ol has a molecular weight of 239.27 g/mol, XLogP of 1.52, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-amino-5-nitro-2-pyridinyl)-3,3-dimethylbutan-2-ol is sourced from PubChem (CID 79816474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).