2,2-dimethyl-3-[(3-nitro-2-pyridinyl)amino]cyclobutan-1-ol

C11H15N3O3 — CID 114630093

IUPAC2,2-dimethyl-3-[(3-nitro-2-pyridinyl)amino]cyclobutan-1-ol
SMILESCC1(C)C(O)CC1Nc1ncccc1[N+](=O)[O-]
InChIInChI=1S/C11H15N3O3/c1-11(2)8(6-9(11)15)13-10-7(14(16)17)4-3-5-12-10/h3-5,8-9,15H,6H2,1-2H3,(H,12,13)
InChIKeyNSQLGYQREIRJEO-UHFFFAOYSA-N
MW237.26 g/mol
LogP1.56
Rot. Bonds3

About 2,2-dimethyl-3-[(3-nitro-2-pyridinyl)amino]cyclobutan-1-ol

2,2-dimethyl-3-[(3-nitro-2-pyridinyl)amino]cyclobutan-1-ol (PubChem CID 114630093) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 2,2-dimethyl-3-[(3-nitro-2-pyridinyl)amino]cyclobutan-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-3-[(3-nitro-2-pyridinyl)amino]cyclobutan-1-ol
PubChem CID114630093
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name2,2-dimethyl-3-[(3-nitro-2-pyridinyl)amino]cyclobutan-1-ol
SMILESCC1(C)C(O)CC1Nc1ncccc1[N+](=O)[O-]
InChIInChI=1S/C11H15N3O3/c1-11(2)8(6-9(11)15)13-10-7(14(16)17)4-3-5-12-10/h3-5,8-9,15H,6H2,1-2H3,(H,12,13)
InChIKeyNSQLGYQREIRJEO-UHFFFAOYSA-N
XLogP1.56
TPSA88.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 51.56
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

N-(2,2-dimethylcyclopropyl)-3-nitropyridin-2-amine
CID 61223122
N-(2-methylcyclopropyl)-3-nitropyridin-2-amine
CID 62396767
3-[(3-bromo-4-methyl-5-nitro-2-pyridinyl)amino]-2,2-dimethylcyclobutan-1-ol
CID 114630234
3-nitro-N-(2,2,3,3-tetramethylcyclopropyl)pyridin-2-amine
CID 79363256
3-[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]-2,2-dimethylcyclobutan-1-ol
CID 114632983
N-cyclopropyl-3-nitropyridin-2-amine;hydrochloride
CID 133059151
3-(4-iodo-2-nitroanilino)-2,2-dimethylcyclobutan-1-ol
CID 114630141
2,2-dimethyl-3-[(6-nitroquinazolin-4-yl)amino]cyclobutan-1-ol
CID 114630070
N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-3-nitropyridin-2-amine
CID 11938982
2,2-dimethyl-3-[(3-methyl-5-nitroimidazol-4-yl)amino]cyclobutan-1-ol
CID 114630052
N-methyl-3-nitropyridin-2-amine
CID 556349
2-N-(3-nitro-2-pyridinyl)cyclohexane-1,2-diamine
CID 54904971

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[(3-nitro-2-pyridinyl)amino]cyclobutan-1-ol?
The IUPAC name of 2,2-dimethyl-3-[(3-nitro-2-pyridinyl)amino]cyclobutan-1-ol (CID 114630093) is 2,2-dimethyl-3-[(3-nitro-2-pyridinyl)amino]cyclobutan-1-ol.
What is the SMILES notation for 2,2-dimethyl-3-[(3-nitro-2-pyridinyl)amino]cyclobutan-1-ol?
The canonical SMILES for 2,2-dimethyl-3-[(3-nitro-2-pyridinyl)amino]cyclobutan-1-ol is CC1(C)C(O)CC1Nc1ncccc1[N+](=O)[O-].
What is the InChIKey of 2,2-dimethyl-3-[(3-nitro-2-pyridinyl)amino]cyclobutan-1-ol?
The InChIKey is NSQLGYQREIRJEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-11(2)8(6-9(11)15)13-10-7(14(16)17)4-3-5-12-10/h3-5,8-9,15H,6H2,1-2H3,(H,12,13).
What are the key properties of 2,2-dimethyl-3-[(3-nitro-2-pyridinyl)amino]cyclobutan-1-ol?
2,2-dimethyl-3-[(3-nitro-2-pyridinyl)amino]cyclobutan-1-ol has a molecular weight of 237.26 g/mol, XLogP of 1.56, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[(3-nitro-2-pyridinyl)amino]cyclobutan-1-ol is sourced from PubChem (CID 114630093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).