2-[(6-amino-3-nitro-2-pyridinyl)amino]cyclohexan-1-ol

C11H16N4O3 — CID 80827019

IUPAC2-[(6-amino-3-nitro-2-pyridinyl)amino]cyclohexan-1-ol
SMILESNc1ccc([N+](=O)[O-])c(NC2CCCCC2O)n1
InChIInChI=1S/C11H16N4O3/c12-10-6-5-8(15(17)18)11(14-10)13-7-3-1-2-4-9(7)16/h5-7,9,16H,1-4H2,(H3,12,13,14)
InChIKeyHKPDXWFVIUNCEB-UHFFFAOYSA-N
MW252.27 g/mol
LogP1.29
Rot. Bonds3

About 2-[(6-amino-3-nitro-2-pyridinyl)amino]cyclohexan-1-ol

2-[(6-amino-3-nitro-2-pyridinyl)amino]cyclohexan-1-ol (PubChem CID 80827019) has the molecular formula C11H16N4O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is 2-[(6-amino-3-nitro-2-pyridinyl)amino]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[(6-amino-3-nitro-2-pyridinyl)amino]cyclohexan-1-ol
PubChem CID80827019
Molecular FormulaC11H16N4O3
Molecular Weight252.27 g/mol
Exact Mass252.12
IUPAC Name2-[(6-amino-3-nitro-2-pyridinyl)amino]cyclohexan-1-ol
SMILESNc1ccc([N+](=O)[O-])c(NC2CCCCC2O)n1
InChIInChI=1S/C11H16N4O3/c12-10-6-5-8(15(17)18)11(14-10)13-7-3-1-2-4-9(7)16/h5-7,9,16H,1-4H2,(H3,12,13,14)
InChIKeyHKPDXWFVIUNCEB-UHFFFAOYSA-N
XLogP1.29
TPSA114.31 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

2-[(6-chloro-3-nitro-2-pyridinyl)amino]cycloheptan-1-ol
CID 113394870
2-[[6-(methylamino)-3-nitro-2-pyridinyl]amino]cyclohexan-1-ol
CID 80827369
3-nitro-2-N-(oxan-3-yl)pyridine-2,6-diamine
CID 80830518
trans-(1S,2S)-2-[(4-amino-5-nitropyrimidin-2-yl)amino]cyclohexan-1-ol
CID 133495252
6-hydrazinyl-N-(2-methylcyclohexyl)-3-nitropyridin-2-amine
CID 80943738
2-N-(3-methoxycyclopentyl)-3-nitropyridine-2,6-diamine
CID 114118406
trans-(1S,2S)-2-[(7-aminopyrido[2,3-d]pyrimidin-4-yl)amino]cyclohexan-1-ol
CID 133495393
3-nitro-2-N-(thian-2-ylmethyl)pyridine-2,6-diamine
CID 80852430
2-[(8-nitroquinolin-5-yl)amino]cyclohexan-1-ol
CID 62359986
6-chloro-N-cyclohexyl-3-nitropyridin-2-amine
CID 43152693
trans-(1S,2S)-2-[(8-nitroisoquinolin-5-yl)amino]cyclohexan-1-ol
CID 133495382
trans-(1S,2S)-2-[4-nitro-3-(trifluoromethyl)anilino]cyclohexan-1-ol
CID 133495358

Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-3-nitro-2-pyridinyl)amino]cyclohexan-1-ol?
The IUPAC name of 2-[(6-amino-3-nitro-2-pyridinyl)amino]cyclohexan-1-ol (CID 80827019) is 2-[(6-amino-3-nitro-2-pyridinyl)amino]cyclohexan-1-ol.
What is the SMILES notation for 2-[(6-amino-3-nitro-2-pyridinyl)amino]cyclohexan-1-ol?
The canonical SMILES for 2-[(6-amino-3-nitro-2-pyridinyl)amino]cyclohexan-1-ol is Nc1ccc([N+](=O)[O-])c(NC2CCCCC2O)n1.
What is the InChIKey of 2-[(6-amino-3-nitro-2-pyridinyl)amino]cyclohexan-1-ol?
The InChIKey is HKPDXWFVIUNCEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3/c12-10-6-5-8(15(17)18)11(14-10)13-7-3-1-2-4-9(7)16/h5-7,9,16H,1-4H2,(H3,12,13,14).
What are the key properties of 2-[(6-amino-3-nitro-2-pyridinyl)amino]cyclohexan-1-ol?
2-[(6-amino-3-nitro-2-pyridinyl)amino]cyclohexan-1-ol has a molecular weight of 252.27 g/mol, XLogP of 1.29, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-amino-3-nitro-2-pyridinyl)amino]cyclohexan-1-ol is sourced from PubChem (CID 80827019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).