4-(2-methoxyethyl)-2-nitropyridin-3-amine

C8H11N3O3 — CID 19034985

IUPAC4-(2-methoxyethyl)-2-nitropyridin-3-amine
SMILESCOCCc1ccnc([N+](=O)[O-])c1N
InChIInChI=1S/C8H11N3O3/c1-14-5-3-6-2-4-10-8(7(6)9)11(12)13/h2,4H,3,5,9H2,1H3
InChIKeyPJCDAXXLZGLOMO-UHFFFAOYSA-N
MW197.19 g/mol
LogP0.76
Rot. Bonds4

About 4-(2-methoxyethyl)-2-nitropyridin-3-amine

4-(2-methoxyethyl)-2-nitropyridin-3-amine (PubChem CID 19034985) has the molecular formula C8H11N3O3 and a molecular weight of 197.19 g/mol. Its IUPAC name is 4-(2-methoxyethyl)-2-nitropyridin-3-amine.

Molecular Properties

Compound Name4-(2-methoxyethyl)-2-nitropyridin-3-amine
PubChem CID19034985
Molecular FormulaC8H11N3O3
Molecular Weight197.19 g/mol
Exact Mass197.08
IUPAC Name4-(2-methoxyethyl)-2-nitropyridin-3-amine
SMILESCOCCc1ccnc([N+](=O)[O-])c1N
InChIInChI=1S/C8H11N3O3/c1-14-5-3-6-2-4-10-8(7(6)9)11(12)13/h2,4H,3,5,9H2,1H3
InChIKeyPJCDAXXLZGLOMO-UHFFFAOYSA-N
XLogP0.76
TPSA91.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 50.76
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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Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyethyl)-2-nitropyridin-3-amine?
The IUPAC name of 4-(2-methoxyethyl)-2-nitropyridin-3-amine (CID 19034985) is 4-(2-methoxyethyl)-2-nitropyridin-3-amine.
What is the SMILES notation for 4-(2-methoxyethyl)-2-nitropyridin-3-amine?
The canonical SMILES for 4-(2-methoxyethyl)-2-nitropyridin-3-amine is COCCc1ccnc([N+](=O)[O-])c1N.
What is the InChIKey of 4-(2-methoxyethyl)-2-nitropyridin-3-amine?
The InChIKey is PJCDAXXLZGLOMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O3/c1-14-5-3-6-2-4-10-8(7(6)9)11(12)13/h2,4H,3,5,9H2,1H3.
What are the key properties of 4-(2-methoxyethyl)-2-nitropyridin-3-amine?
4-(2-methoxyethyl)-2-nitropyridin-3-amine has a molecular weight of 197.19 g/mol, XLogP of 0.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethyl)-2-nitropyridin-3-amine is sourced from PubChem (CID 19034985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).