6-cycloheptyloxy-5-nitropyridin-2-amine

C12H17N3O3 — CID 80870562

IUPAC6-cycloheptyloxy-5-nitropyridin-2-amine
SMILESNc1ccc([N+](=O)[O-])c(OC2CCCCCC2)n1
InChIInChI=1S/C12H17N3O3/c13-11-8-7-10(15(16)17)12(14-11)18-9-5-3-1-2-4-6-9/h7-9H,1-6H2,(H2,13,14)
InChIKeyVTIFAANAKPBXGM-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.67
Rot. Bonds3

About 6-cycloheptyloxy-5-nitropyridin-2-amine

6-cycloheptyloxy-5-nitropyridin-2-amine (PubChem CID 80870562) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 6-cycloheptyloxy-5-nitropyridin-2-amine.

Molecular Properties

Compound Name6-cycloheptyloxy-5-nitropyridin-2-amine
PubChem CID80870562
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name6-cycloheptyloxy-5-nitropyridin-2-amine
SMILESNc1ccc([N+](=O)[O-])c(OC2CCCCCC2)n1
InChIInChI=1S/C12H17N3O3/c13-11-8-7-10(15(16)17)12(14-11)18-9-5-3-1-2-4-6-9/h7-9H,1-6H2,(H2,13,14)
InChIKeyVTIFAANAKPBXGM-UHFFFAOYSA-N
XLogP2.67
TPSA91.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 52.67
H-Bond Donors ≤ 51
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

6-(2-ethylcyclohexyl)oxy-5-nitropyridin-2-amine
CID 80858797
2-cyclopentyloxy-3-nitropyridine
CID 124707283
6-(3-methoxycyclohexyl)oxy-N-methyl-5-nitropyridin-2-amine
CID 80876882
5-nitro-6-(oxolan-2-ylmethoxy)pyridin-2-amine
CID 80859627
6-chloro-2-(1-methylpiperidin-1-ium-4-yl)oxy-3-nitropyridine chloride
CID 110185311
2-N-cyclohexyl-2-N-ethyl-3-nitropyridine-2,6-diamine
CID 80767596
6-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-5-nitropyridin-2-amine
CID 80775290
6-methoxy-3-nitro-2-piperidin-3-yloxypyridine
CID 115323414
(5-chloro-2-nitrophenoxy)cycloheptane
CID 82935207
2-[(6-amino-3-nitro-2-pyridinyl)-cyclopentylamino]acetamide
CID 80806821
2-[(6-amino-3-nitro-2-pyridinyl)amino]cyclohexan-1-ol
CID 80827019
6-but-3-enoxy-5-nitropyridin-2-amine
CID 80862118

Frequently Asked Questions

What is the IUPAC name of 6-cycloheptyloxy-5-nitropyridin-2-amine?
The IUPAC name of 6-cycloheptyloxy-5-nitropyridin-2-amine (CID 80870562) is 6-cycloheptyloxy-5-nitropyridin-2-amine.
What is the SMILES notation for 6-cycloheptyloxy-5-nitropyridin-2-amine?
The canonical SMILES for 6-cycloheptyloxy-5-nitropyridin-2-amine is Nc1ccc([N+](=O)[O-])c(OC2CCCCCC2)n1.
What is the InChIKey of 6-cycloheptyloxy-5-nitropyridin-2-amine?
The InChIKey is VTIFAANAKPBXGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c13-11-8-7-10(15(16)17)12(14-11)18-9-5-3-1-2-4-6-9/h7-9H,1-6H2,(H2,13,14).
What are the key properties of 6-cycloheptyloxy-5-nitropyridin-2-amine?
6-cycloheptyloxy-5-nitropyridin-2-amine has a molecular weight of 251.29 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cycloheptyloxy-5-nitropyridin-2-amine is sourced from PubChem (CID 80870562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).