N-(2-methoxyethyl)-6-methyl-5-nitropyridin-2-amine

C9H13N3O3 — CID 11241290

IUPACN-(2-methoxyethyl)-6-methyl-5-nitropyridin-2-amine
SMILESCOCCNc1ccc([N+](=O)[O-])c(C)n1
InChIInChI=1S/C9H13N3O3/c1-7-8(12(13)14)3-4-9(11-7)10-5-6-15-2/h3-4H,5-6H2,1-2H3,(H,10,11)
InChIKeyNGNDHNHJYWNRMO-UHFFFAOYSA-N
MW211.22 g/mol
LogP1.36
Rot. Bonds5

About N-(2-methoxyethyl)-6-methyl-5-nitropyridin-2-amine

N-(2-methoxyethyl)-6-methyl-5-nitropyridin-2-amine (PubChem CID 11241290) has the molecular formula C9H13N3O3 and a molecular weight of 211.22 g/mol. Its IUPAC name is N-(2-methoxyethyl)-6-methyl-5-nitropyridin-2-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-6-methyl-5-nitropyridin-2-amine
PubChem CID11241290
Molecular FormulaC9H13N3O3
Molecular Weight211.22 g/mol
Exact Mass211.10
IUPAC NameN-(2-methoxyethyl)-6-methyl-5-nitropyridin-2-amine
SMILESCOCCNc1ccc([N+](=O)[O-])c(C)n1
InChIInChI=1S/C9H13N3O3/c1-7-8(12(13)14)3-4-9(11-7)10-5-6-15-2/h3-4H,5-6H2,1-2H3,(H,10,11)
InChIKeyNGNDHNHJYWNRMO-UHFFFAOYSA-N
XLogP1.36
TPSA77.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-6-methyl-5-nitropyridin-2-amine?
The IUPAC name of N-(2-methoxyethyl)-6-methyl-5-nitropyridin-2-amine (CID 11241290) is N-(2-methoxyethyl)-6-methyl-5-nitropyridin-2-amine.
What is the SMILES notation for N-(2-methoxyethyl)-6-methyl-5-nitropyridin-2-amine?
The canonical SMILES for N-(2-methoxyethyl)-6-methyl-5-nitropyridin-2-amine is COCCNc1ccc([N+](=O)[O-])c(C)n1.
What is the InChIKey of N-(2-methoxyethyl)-6-methyl-5-nitropyridin-2-amine?
The InChIKey is NGNDHNHJYWNRMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3/c1-7-8(12(13)14)3-4-9(11-7)10-5-6-15-2/h3-4H,5-6H2,1-2H3,(H,10,11).
What are the key properties of N-(2-methoxyethyl)-6-methyl-5-nitropyridin-2-amine?
N-(2-methoxyethyl)-6-methyl-5-nitropyridin-2-amine has a molecular weight of 211.22 g/mol, XLogP of 1.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-6-methyl-5-nitropyridin-2-amine is sourced from PubChem (CID 11241290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).