3-bromo-5-nitro-N-(2-thiophen-2-ylethyl)pyridin-2-amine

C11H10BrN3O2S — CID 79534692

IUPAC3-bromo-5-nitro-N-(2-thiophen-2-ylethyl)pyridin-2-amine
SMILESO=[N+]([O-])c1cnc(NCCc2cccs2)c(Br)c1
InChIInChI=1S/C11H10BrN3O2S/c12-10-6-8(15(16)17)7-14-11(10)13-4-3-9-2-1-5-18-9/h1-2,5-7H,3-4H2,(H,13,14)
InChIKeyCEHCDUQBEVMXPG-UHFFFAOYSA-N
MW328.19 g/mol
LogP3.47
Rot. Bonds5

About 3-bromo-5-nitro-N-(2-thiophen-2-ylethyl)pyridin-2-amine

3-bromo-5-nitro-N-(2-thiophen-2-ylethyl)pyridin-2-amine (PubChem CID 79534692) has the molecular formula C11H10BrN3O2S and a molecular weight of 328.19 g/mol. Its IUPAC name is 3-bromo-5-nitro-N-(2-thiophen-2-ylethyl)pyridin-2-amine.

Molecular Properties

Compound Name3-bromo-5-nitro-N-(2-thiophen-2-ylethyl)pyridin-2-amine
PubChem CID79534692
Molecular FormulaC11H10BrN3O2S
Molecular Weight328.19 g/mol
Exact Mass326.97
IUPAC Name3-bromo-5-nitro-N-(2-thiophen-2-ylethyl)pyridin-2-amine
SMILESO=[N+]([O-])c1cnc(NCCc2cccs2)c(Br)c1
InChIInChI=1S/C11H10BrN3O2S/c12-10-6-8(15(16)17)7-14-11(10)13-4-3-9-2-1-5-18-9/h1-2,5-7H,3-4H2,(H,13,14)
InChIKeyCEHCDUQBEVMXPG-UHFFFAOYSA-N
XLogP3.47
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.19
LogP ≤ 53.47
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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Related Compounds

4-nitro-N-(2-thiophen-2-ylethyl)aniline
CID 23104820
5-nitro-2-(2-thiophen-2-ylethylamino)benzenesulfonamide
CID 71944701
3-bromo-N-(4-methylpentyl)-5-nitropyridin-2-amine
CID 79534609
2-chloro-5-nitro-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide
CID 103803074
3-fluoro-5-nitro-N-(2-thiophen-2-ylethyl)aniline
CID 60877639
5-nitro-N-(thiophen-2-ylmethyl)pyrimidin-2-amine
CID 61146262
6-hydrazinyl-4-nitro-N-(2-thiophen-2-ylethyl)pyridin-2-amine
CID 114071530
4-N-(4-bromophenyl)-5-nitro-6-N-(2-thiophen-2-ylethyl)pyrimidine-4,6-diamine
CID 22533157
2-nitro-N-(2-thiophen-2-ylethyl)pyridin-4-amine
CID 67690075
2-[(3-bromo-5-nitro-2-pyridinyl)amino]ethyl carbamate
CID 83205044
5-bromo-N-(2-thiophen-2-ylethyl)-3-(trifluoromethyl)pyridin-2-amine
CID 106795936
3-bromo-N-[(2-methoxy-3-pyridinyl)methyl]-5-nitropyridin-2-amine
CID 79535598

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-nitro-N-(2-thiophen-2-ylethyl)pyridin-2-amine?
The IUPAC name of 3-bromo-5-nitro-N-(2-thiophen-2-ylethyl)pyridin-2-amine (CID 79534692) is 3-bromo-5-nitro-N-(2-thiophen-2-ylethyl)pyridin-2-amine.
What is the SMILES notation for 3-bromo-5-nitro-N-(2-thiophen-2-ylethyl)pyridin-2-amine?
The canonical SMILES for 3-bromo-5-nitro-N-(2-thiophen-2-ylethyl)pyridin-2-amine is O=[N+]([O-])c1cnc(NCCc2cccs2)c(Br)c1.
What is the InChIKey of 3-bromo-5-nitro-N-(2-thiophen-2-ylethyl)pyridin-2-amine?
The InChIKey is CEHCDUQBEVMXPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrN3O2S/c12-10-6-8(15(16)17)7-14-11(10)13-4-3-9-2-1-5-18-9/h1-2,5-7H,3-4H2,(H,13,14).
What are the key properties of 3-bromo-5-nitro-N-(2-thiophen-2-ylethyl)pyridin-2-amine?
3-bromo-5-nitro-N-(2-thiophen-2-ylethyl)pyridin-2-amine has a molecular weight of 328.19 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-nitro-N-(2-thiophen-2-ylethyl)pyridin-2-amine is sourced from PubChem (CID 79534692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).