4-chloro-6-(2-methoxyethoxy)-3-nitropyridin-2-amine

C8H10ClN3O4 — CID 58278133

IUPAC4-chloro-6-(2-methoxyethoxy)-3-nitropyridin-2-amine
SMILESCOCCOc1cc(Cl)c([N+](=O)[O-])c(N)n1
InChIInChI=1S/C8H10ClN3O4/c1-15-2-3-16-6-4-5(9)7(12(13)14)8(10)11-6/h4H,2-3H2,1H3,(H2,10,11)
InChIKeyOVKUYGYTECFRDH-UHFFFAOYSA-N
MW247.64 g/mol
LogP1.25
Rot. Bonds5

About 4-chloro-6-(2-methoxyethoxy)-3-nitropyridin-2-amine

4-chloro-6-(2-methoxyethoxy)-3-nitropyridin-2-amine (PubChem CID 58278133) has the molecular formula C8H10ClN3O4 and a molecular weight of 247.64 g/mol. Its IUPAC name is 4-chloro-6-(2-methoxyethoxy)-3-nitropyridin-2-amine.

Molecular Properties

Compound Name4-chloro-6-(2-methoxyethoxy)-3-nitropyridin-2-amine
PubChem CID58278133
Molecular FormulaC8H10ClN3O4
Molecular Weight247.64 g/mol
Exact Mass247.04
IUPAC Name4-chloro-6-(2-methoxyethoxy)-3-nitropyridin-2-amine
SMILESCOCCOc1cc(Cl)c([N+](=O)[O-])c(N)n1
InChIInChI=1S/C8H10ClN3O4/c1-15-2-3-16-6-4-5(9)7(12(13)14)8(10)11-6/h4H,2-3H2,1H3,(H2,10,11)
InChIKeyOVKUYGYTECFRDH-UHFFFAOYSA-N
XLogP1.25
TPSA100.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.64
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 4-chloro-6-(2-methoxyethoxy)-3-nitropyridin-2-amine?
The IUPAC name of 4-chloro-6-(2-methoxyethoxy)-3-nitropyridin-2-amine (CID 58278133) is 4-chloro-6-(2-methoxyethoxy)-3-nitropyridin-2-amine.
What is the SMILES notation for 4-chloro-6-(2-methoxyethoxy)-3-nitropyridin-2-amine?
The canonical SMILES for 4-chloro-6-(2-methoxyethoxy)-3-nitropyridin-2-amine is COCCOc1cc(Cl)c([N+](=O)[O-])c(N)n1.
What is the InChIKey of 4-chloro-6-(2-methoxyethoxy)-3-nitropyridin-2-amine?
The InChIKey is OVKUYGYTECFRDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN3O4/c1-15-2-3-16-6-4-5(9)7(12(13)14)8(10)11-6/h4H,2-3H2,1H3,(H2,10,11).
What are the key properties of 4-chloro-6-(2-methoxyethoxy)-3-nitropyridin-2-amine?
4-chloro-6-(2-methoxyethoxy)-3-nitropyridin-2-amine has a molecular weight of 247.64 g/mol, XLogP of 1.25, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(2-methoxyethoxy)-3-nitropyridin-2-amine is sourced from PubChem (CID 58278133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).