2-(4-chloro-5-nitroindazol-1-yl)-N,N-dimethylethanamine

C11H13ClN4O2 — CID 141387354

IUPAC2-(4-chloro-5-nitroindazol-1-yl)-N,N-dimethylethanamine
SMILESCN(C)CCn1ncc2c(Cl)c([N+](=O)[O-])ccc21
InChIInChI=1S/C11H13ClN4O2/c1-14(2)5-6-15-9-3-4-10(16(17)18)11(12)8(9)7-13-15/h3-4,7H,5-6H2,1-2H3
InChIKeyWRDXTZJUIGXQTA-UHFFFAOYSA-N
MW268.70 g/mol
LogP2.16
Rot. Bonds4

About 2-(4-chloro-5-nitroindazol-1-yl)-N,N-dimethylethanamine

2-(4-chloro-5-nitroindazol-1-yl)-N,N-dimethylethanamine (PubChem CID 141387354) has the molecular formula C11H13ClN4O2 and a molecular weight of 268.70 g/mol. Its IUPAC name is 2-(4-chloro-5-nitroindazol-1-yl)-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-(4-chloro-5-nitroindazol-1-yl)-N,N-dimethylethanamine
PubChem CID141387354
Molecular FormulaC11H13ClN4O2
Molecular Weight268.70 g/mol
Exact Mass268.07
IUPAC Name2-(4-chloro-5-nitroindazol-1-yl)-N,N-dimethylethanamine
SMILESCN(C)CCn1ncc2c(Cl)c([N+](=O)[O-])ccc21
InChIInChI=1S/C11H13ClN4O2/c1-14(2)5-6-15-9-3-4-10(16(17)18)11(12)8(9)7-13-15/h3-4,7H,5-6H2,1-2H3
InChIKeyWRDXTZJUIGXQTA-UHFFFAOYSA-N
XLogP2.16
TPSA64.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.70
LogP ≤ 52.16
H-Bond Donors ≤ 50
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 2-(4-chloro-5-nitroindazol-1-yl)-N,N-dimethylethanamine?
The IUPAC name of 2-(4-chloro-5-nitroindazol-1-yl)-N,N-dimethylethanamine (CID 141387354) is 2-(4-chloro-5-nitroindazol-1-yl)-N,N-dimethylethanamine.
What is the SMILES notation for 2-(4-chloro-5-nitroindazol-1-yl)-N,N-dimethylethanamine?
The canonical SMILES for 2-(4-chloro-5-nitroindazol-1-yl)-N,N-dimethylethanamine is CN(C)CCn1ncc2c(Cl)c([N+](=O)[O-])ccc21.
What is the InChIKey of 2-(4-chloro-5-nitroindazol-1-yl)-N,N-dimethylethanamine?
The InChIKey is WRDXTZJUIGXQTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN4O2/c1-14(2)5-6-15-9-3-4-10(16(17)18)11(12)8(9)7-13-15/h3-4,7H,5-6H2,1-2H3.
What are the key properties of 2-(4-chloro-5-nitroindazol-1-yl)-N,N-dimethylethanamine?
2-(4-chloro-5-nitroindazol-1-yl)-N,N-dimethylethanamine has a molecular weight of 268.70 g/mol, XLogP of 2.16, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-5-nitroindazol-1-yl)-N,N-dimethylethanamine is sourced from PubChem (CID 141387354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).