5-nitro-6-(oxolan-2-ylmethoxy)pyridin-2-amine

C10H13N3O4 — CID 80859627

IUPAC5-nitro-6-(oxolan-2-ylmethoxy)pyridin-2-amine
SMILESNc1ccc([N+](=O)[O-])c(OCC2CCCO2)n1
InChIInChI=1S/C10H13N3O4/c11-9-4-3-8(13(14)15)10(12-9)17-6-7-2-1-5-16-7/h3-4,7H,1-2,5-6H2,(H2,11,12)
InChIKeyPQAMYZRBGCLOKE-UHFFFAOYSA-N
MW239.23 g/mol
LogP1.13
Rot. Bonds4

About 5-nitro-6-(oxolan-2-ylmethoxy)pyridin-2-amine

5-nitro-6-(oxolan-2-ylmethoxy)pyridin-2-amine (PubChem CID 80859627) has the molecular formula C10H13N3O4 and a molecular weight of 239.23 g/mol. Its IUPAC name is 5-nitro-6-(oxolan-2-ylmethoxy)pyridin-2-amine.

Molecular Properties

Compound Name5-nitro-6-(oxolan-2-ylmethoxy)pyridin-2-amine
PubChem CID80859627
Molecular FormulaC10H13N3O4
Molecular Weight239.23 g/mol
Exact Mass239.09
IUPAC Name5-nitro-6-(oxolan-2-ylmethoxy)pyridin-2-amine
SMILESNc1ccc([N+](=O)[O-])c(OCC2CCCO2)n1
InChIInChI=1S/C10H13N3O4/c11-9-4-3-8(13(14)15)10(12-9)17-6-7-2-1-5-16-7/h3-4,7H,1-2,5-6H2,(H2,11,12)
InChIKeyPQAMYZRBGCLOKE-UHFFFAOYSA-N
XLogP1.13
TPSA100.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 51.13
H-Bond Donors ≤ 51
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

6-cycloheptyloxy-5-nitropyridin-2-amine
CID 80870562
2-nitro-5-(oxan-2-ylmethoxy)benzonitrile
CID 115501400
4-chloro-2-methyl-5-nitro-6-(oxolan-2-ylmethoxy)pyrimidine
CID 130268236
2-nitro-6-[[(2R)-oxolan-2-yl]methoxy]benzonitrile
CID 124561898
6-chloro-N-methyl-3-nitro-N-(oxolan-2-ylmethyl)pyridin-2-amine
CID 61435734
oxolan-2-ylmethyl 4-amino-3-nitrobenzoate
CID 42915193
2-[(2,4-dinitrophenoxy)methyl]oxane
CID 15869090
[5-nitro-6-(oxan-4-ylmethoxy)-2-pyridinyl]hydrazine
CID 80925762
2-(oxolan-2-ylmethoxy)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 79869488
[6-(cyclopentylmethoxy)-5-nitro-2-pyridinyl]hydrazine
CID 80923785
6-methoxy-2-(oxolan-2-ylmethoxy)pyridin-3-amine
CID 115321070
N-ethyl-5-nitro-6-(oxolan-2-ylmethoxy)pyrimidin-4-amine
CID 80859792

Frequently Asked Questions

What is the IUPAC name of 5-nitro-6-(oxolan-2-ylmethoxy)pyridin-2-amine?
The IUPAC name of 5-nitro-6-(oxolan-2-ylmethoxy)pyridin-2-amine (CID 80859627) is 5-nitro-6-(oxolan-2-ylmethoxy)pyridin-2-amine.
What is the SMILES notation for 5-nitro-6-(oxolan-2-ylmethoxy)pyridin-2-amine?
The canonical SMILES for 5-nitro-6-(oxolan-2-ylmethoxy)pyridin-2-amine is Nc1ccc([N+](=O)[O-])c(OCC2CCCO2)n1.
What is the InChIKey of 5-nitro-6-(oxolan-2-ylmethoxy)pyridin-2-amine?
The InChIKey is PQAMYZRBGCLOKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O4/c11-9-4-3-8(13(14)15)10(12-9)17-6-7-2-1-5-16-7/h3-4,7H,1-2,5-6H2,(H2,11,12).
What are the key properties of 5-nitro-6-(oxolan-2-ylmethoxy)pyridin-2-amine?
5-nitro-6-(oxolan-2-ylmethoxy)pyridin-2-amine has a molecular weight of 239.23 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-6-(oxolan-2-ylmethoxy)pyridin-2-amine is sourced from PubChem (CID 80859627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).