2-[(6-chloro-4-nitro-2-pyridinyl)-cyclobutylamino]ethanol

C11H14ClN3O3 — CID 102675312

IUPAC2-[(6-chloro-4-nitro-2-pyridinyl)-cyclobutylamino]ethanol
SMILESO=[N+]([O-])c1cc(Cl)nc(N(CCO)C2CCC2)c1
InChIInChI=1S/C11H14ClN3O3/c12-10-6-9(15(17)18)7-11(13-10)14(4-5-16)8-2-1-3-8/h6-8,16H,1-5H2
InChIKeyOGARCTSTIYOGMA-UHFFFAOYSA-N
MW271.70 g/mol
LogP1.99
Rot. Bonds5

About 2-[(6-chloro-4-nitro-2-pyridinyl)-cyclobutylamino]ethanol

2-[(6-chloro-4-nitro-2-pyridinyl)-cyclobutylamino]ethanol (PubChem CID 102675312) has the molecular formula C11H14ClN3O3 and a molecular weight of 271.70 g/mol. Its IUPAC name is 2-[(6-chloro-4-nitro-2-pyridinyl)-cyclobutylamino]ethanol.

Molecular Properties

Compound Name2-[(6-chloro-4-nitro-2-pyridinyl)-cyclobutylamino]ethanol
PubChem CID102675312
Molecular FormulaC11H14ClN3O3
Molecular Weight271.70 g/mol
Exact Mass271.07
IUPAC Name2-[(6-chloro-4-nitro-2-pyridinyl)-cyclobutylamino]ethanol
SMILESO=[N+]([O-])c1cc(Cl)nc(N(CCO)C2CCC2)c1
InChIInChI=1S/C11H14ClN3O3/c12-10-6-9(15(17)18)7-11(13-10)14(4-5-16)8-2-1-3-8/h6-8,16H,1-5H2
InChIKeyOGARCTSTIYOGMA-UHFFFAOYSA-N
XLogP1.99
TPSA79.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.70
LogP ≤ 51.99
H-Bond Donors ≤ 51
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-[(6-chloro-2-methylpyrimidin-4-yl)-cyclohexylamino]ethanol
CID 55080382
2-[cyclobutyl-(5-nitropyrimidin-2-yl)amino]ethanol
CID 102675262
2-[cyclobutyl-(3-methyl-5-nitro-2-pyridinyl)amino]ethanol
CID 102869000
2-(3-amino-N-cyclohexyl-5-nitroanilino)ethanol
CID 80811348
2-(N-cyclobutyl-3-ethoxy-5-nitroanilino)ethanol
CID 102869080
2-[N-cyclobutyl-2-(hydroxymethyl)-4-nitroanilino]ethanol
CID 102864279
6-chloro-N-methyl-4-nitro-N-(oxan-4-yl)pyridin-2-amine
CID 103888875
1-[2-[cyclobutyl(2-hydroxyethyl)amino]-5-nitrophenyl]ethanone
CID 102863301
2-[N-cyclobutyl-4-nitro-2-(trifluoromethyl)anilino]ethanol
CID 102869037
6-chloro-N-(cyclopropylmethyl)-4-nitro-N-propan-2-ylpyridin-2-amine
CID 114070824
6-N-cyclopropyl-2-N-methyl-4-nitro-6-N-propylpyridine-2,6-diamine
CID 114071063
2-[[(6-chloro-4-nitro-2-pyridinyl)amino]methyl]cyclopentan-1-ol
CID 103886515

Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloro-4-nitro-2-pyridinyl)-cyclobutylamino]ethanol?
The IUPAC name of 2-[(6-chloro-4-nitro-2-pyridinyl)-cyclobutylamino]ethanol (CID 102675312) is 2-[(6-chloro-4-nitro-2-pyridinyl)-cyclobutylamino]ethanol.
What is the SMILES notation for 2-[(6-chloro-4-nitro-2-pyridinyl)-cyclobutylamino]ethanol?
The canonical SMILES for 2-[(6-chloro-4-nitro-2-pyridinyl)-cyclobutylamino]ethanol is O=[N+]([O-])c1cc(Cl)nc(N(CCO)C2CCC2)c1.
What is the InChIKey of 2-[(6-chloro-4-nitro-2-pyridinyl)-cyclobutylamino]ethanol?
The InChIKey is OGARCTSTIYOGMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O3/c12-10-6-9(15(17)18)7-11(13-10)14(4-5-16)8-2-1-3-8/h6-8,16H,1-5H2.
What are the key properties of 2-[(6-chloro-4-nitro-2-pyridinyl)-cyclobutylamino]ethanol?
2-[(6-chloro-4-nitro-2-pyridinyl)-cyclobutylamino]ethanol has a molecular weight of 271.70 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloro-4-nitro-2-pyridinyl)-cyclobutylamino]ethanol is sourced from PubChem (CID 102675312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).