6-N-(2-aminoethyl)-3-nitropyridine-2,6-diamine

C7H11N5O2 — CID 22142380

IUPAC6-N-(2-aminoethyl)-3-nitropyridine-2,6-diamine
SMILESNCCNc1ccc([N+](=O)[O-])c(N)n1
InChIInChI=1S/C7H11N5O2/c8-3-4-10-6-2-1-5(12(13)14)7(9)11-6/h1-2H,3-4,8H2,(H3,9,10,11)
InChIKeyJNXKEBLSRILDQM-UHFFFAOYSA-N
MW197.20 g/mol
LogP-0.06
Rot. Bonds4

About 6-N-(2-aminoethyl)-3-nitropyridine-2,6-diamine

6-N-(2-aminoethyl)-3-nitropyridine-2,6-diamine (PubChem CID 22142380) has the molecular formula C7H11N5O2 and a molecular weight of 197.20 g/mol. Its IUPAC name is 6-N-(2-aminoethyl)-3-nitropyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-(2-aminoethyl)-3-nitropyridine-2,6-diamine
PubChem CID22142380
Molecular FormulaC7H11N5O2
Molecular Weight197.20 g/mol
Exact Mass197.09
IUPAC Name6-N-(2-aminoethyl)-3-nitropyridine-2,6-diamine
SMILESNCCNc1ccc([N+](=O)[O-])c(N)n1
InChIInChI=1S/C7H11N5O2/c8-3-4-10-6-2-1-5(12(13)14)7(9)11-6/h1-2H,3-4,8H2,(H3,9,10,11)
InChIKeyJNXKEBLSRILDQM-UHFFFAOYSA-N
XLogP-0.06
TPSA120.10 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.20
LogP ≤ 5-0.06
H-Bond Donors ≤ 53
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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Frequently Asked Questions

What is the IUPAC name of 6-N-(2-aminoethyl)-3-nitropyridine-2,6-diamine?
The IUPAC name of 6-N-(2-aminoethyl)-3-nitropyridine-2,6-diamine (CID 22142380) is 6-N-(2-aminoethyl)-3-nitropyridine-2,6-diamine.
What is the SMILES notation for 6-N-(2-aminoethyl)-3-nitropyridine-2,6-diamine?
The canonical SMILES for 6-N-(2-aminoethyl)-3-nitropyridine-2,6-diamine is NCCNc1ccc([N+](=O)[O-])c(N)n1.
What is the InChIKey of 6-N-(2-aminoethyl)-3-nitropyridine-2,6-diamine?
The InChIKey is JNXKEBLSRILDQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N5O2/c8-3-4-10-6-2-1-5(12(13)14)7(9)11-6/h1-2H,3-4,8H2,(H3,9,10,11).
What are the key properties of 6-N-(2-aminoethyl)-3-nitropyridine-2,6-diamine?
6-N-(2-aminoethyl)-3-nitropyridine-2,6-diamine has a molecular weight of 197.20 g/mol, XLogP of -0.06, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(2-aminoethyl)-3-nitropyridine-2,6-diamine is sourced from PubChem (CID 22142380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).