3-[(6-chloro-4-nitro-2-pyridinyl)amino]-2,3-dimethylbutan-2-ol

C11H16ClN3O3 — CID 114156345

IUPAC3-[(6-chloro-4-nitro-2-pyridinyl)amino]-2,3-dimethylbutan-2-ol
SMILESCC(C)(O)C(C)(C)Nc1cc([N+](=O)[O-])cc(Cl)n1
InChIInChI=1S/C11H16ClN3O3/c1-10(2,11(3,4)16)14-9-6-7(15(17)18)5-8(12)13-9/h5-6,16H,1-4H3,(H,13,14)
InChIKeyXQVJNKDYZVYTSW-UHFFFAOYSA-N
MW273.72 g/mol
LogP2.60
Rot. Bonds4

About 3-[(6-chloro-4-nitro-2-pyridinyl)amino]-2,3-dimethylbutan-2-ol

3-[(6-chloro-4-nitro-2-pyridinyl)amino]-2,3-dimethylbutan-2-ol (PubChem CID 114156345) has the molecular formula C11H16ClN3O3 and a molecular weight of 273.72 g/mol. Its IUPAC name is 3-[(6-chloro-4-nitro-2-pyridinyl)amino]-2,3-dimethylbutan-2-ol.

Molecular Properties

Compound Name3-[(6-chloro-4-nitro-2-pyridinyl)amino]-2,3-dimethylbutan-2-ol
PubChem CID114156345
Molecular FormulaC11H16ClN3O3
Molecular Weight273.72 g/mol
Exact Mass273.09
IUPAC Name3-[(6-chloro-4-nitro-2-pyridinyl)amino]-2,3-dimethylbutan-2-ol
SMILESCC(C)(O)C(C)(C)Nc1cc([N+](=O)[O-])cc(Cl)n1
InChIInChI=1S/C11H16ClN3O3/c1-10(2,11(3,4)16)14-9-6-7(15(17)18)5-8(12)13-9/h5-6,16H,1-4H3,(H,13,14)
InChIKeyXQVJNKDYZVYTSW-UHFFFAOYSA-N
XLogP2.60
TPSA88.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.72
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2,3-dimethyl-3-[[4-nitro-6-(propylamino)-2-pyridinyl]amino]butan-2-ol
CID 106198537
2-[(6-chloro-4-nitro-2-pyridinyl)amino]ethanol
CID 103888263
1-[(6-chloro-4-nitro-2-pyridinyl)amino]pentan-3-ol
CID 103888980
1-[(6-chloro-4-nitro-2-pyridinyl)amino]-4-methylpentan-2-ol
CID 113346459
3-[(6-chloro-4-nitro-2-pyridinyl)amino]-N-propylpropanamide
CID 113345985
N-(6-chloro-4-nitro-2-pyridinyl)-N'-ethyl-N'-methylethane-1,2-diamine
CID 103911726
6-chloro-4-nitro-N-(5,5,5-trifluoropentyl)pyridin-2-amine
CID 103889013
4-[(6-chloro-4-nitro-2-pyridinyl)amino]pentan-1-ol
CID 103888945
6-chloro-N-[(2-methylphenyl)methyl]-4-nitropyridin-2-amine
CID 103886427
1-[[(6-chloro-4-nitro-2-pyridinyl)amino]methyl]cyclohexan-1-ol
CID 113350219
3-[(6-chloro-4-nitro-2-pyridinyl)amino]-2,2-dimethylcyclobutan-1-ol
CID 104952878
N-benzyl-6-chloro-4-nitropyridin-2-amine;2,6-dichloro-4-nitropyridine
CID 161281792

Frequently Asked Questions

What is the IUPAC name of 3-[(6-chloro-4-nitro-2-pyridinyl)amino]-2,3-dimethylbutan-2-ol?
The IUPAC name of 3-[(6-chloro-4-nitro-2-pyridinyl)amino]-2,3-dimethylbutan-2-ol (CID 114156345) is 3-[(6-chloro-4-nitro-2-pyridinyl)amino]-2,3-dimethylbutan-2-ol.
What is the SMILES notation for 3-[(6-chloro-4-nitro-2-pyridinyl)amino]-2,3-dimethylbutan-2-ol?
The canonical SMILES for 3-[(6-chloro-4-nitro-2-pyridinyl)amino]-2,3-dimethylbutan-2-ol is CC(C)(O)C(C)(C)Nc1cc([N+](=O)[O-])cc(Cl)n1.
What is the InChIKey of 3-[(6-chloro-4-nitro-2-pyridinyl)amino]-2,3-dimethylbutan-2-ol?
The InChIKey is XQVJNKDYZVYTSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O3/c1-10(2,11(3,4)16)14-9-6-7(15(17)18)5-8(12)13-9/h5-6,16H,1-4H3,(H,13,14).
What are the key properties of 3-[(6-chloro-4-nitro-2-pyridinyl)amino]-2,3-dimethylbutan-2-ol?
3-[(6-chloro-4-nitro-2-pyridinyl)amino]-2,3-dimethylbutan-2-ol has a molecular weight of 273.72 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-chloro-4-nitro-2-pyridinyl)amino]-2,3-dimethylbutan-2-ol is sourced from PubChem (CID 114156345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).