2-(3-bromo-5-nitro-2-pyridinyl)-N-ethyl-1-phenylethanamine

C15H16BrN3O2 — CID 79531257

IUPAC2-(3-bromo-5-nitro-2-pyridinyl)-N-ethyl-1-phenylethanamine
SMILESCCNC(Cc1ncc([N+](=O)[O-])cc1Br)c1ccccc1
InChIInChI=1S/C15H16BrN3O2/c1-2-17-14(11-6-4-3-5-7-11)9-15-13(16)8-12(10-18-15)19(20)21/h3-8,10,14,17H,2,9H2,1H3
InChIKeyHNDUCZHJPJJDER-UHFFFAOYSA-N
MW350.22 g/mol
LogP3.65
Rot. Bonds6

About 2-(3-bromo-5-nitro-2-pyridinyl)-N-ethyl-1-phenylethanamine

2-(3-bromo-5-nitro-2-pyridinyl)-N-ethyl-1-phenylethanamine (PubChem CID 79531257) has the molecular formula C15H16BrN3O2 and a molecular weight of 350.22 g/mol. Its IUPAC name is 2-(3-bromo-5-nitro-2-pyridinyl)-N-ethyl-1-phenylethanamine.

Molecular Properties

Compound Name2-(3-bromo-5-nitro-2-pyridinyl)-N-ethyl-1-phenylethanamine
PubChem CID79531257
Molecular FormulaC15H16BrN3O2
Molecular Weight350.22 g/mol
Exact Mass349.04
IUPAC Name2-(3-bromo-5-nitro-2-pyridinyl)-N-ethyl-1-phenylethanamine
SMILESCCNC(Cc1ncc([N+](=O)[O-])cc1Br)c1ccccc1
InChIInChI=1S/C15H16BrN3O2/c1-2-17-14(11-6-4-3-5-7-11)9-15-13(16)8-12(10-18-15)19(20)21/h3-8,10,14,17H,2,9H2,1H3
InChIKeyHNDUCZHJPJJDER-UHFFFAOYSA-N
XLogP3.65
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.22
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

N-ethyl-2-(3-methyl-5-nitro-2-pyridinyl)-1-phenylethanamine
CID 63199963
3-bromo-5-nitro-N-(1-phenylpropyl)pyridin-2-amine
CID 79534888
1-(3-bromo-5-nitro-2-pyridinyl)butan-2-amine
CID 79523633
1-(3-bromo-5-nitro-2-pyridinyl)-N,3-dimethylbutan-2-amine
CID 79523278
N-ethyl-2-(2-nitrophenyl)-1-phenylethanamine
CID 12915155
3-bromo-5-nitro-N-(2-phenylpropyl)pyridin-2-amine
CID 104591694
N-[2-(4-nitro-2-pyridinyl)-1-phenylethyl]propan-1-amine
CID 63199442
3-bromo-2-(2-chloro-2-cyclopropylethyl)-5-nitropyridine
CID 79524589
N-ethyl-1-(3-methylphenyl)-2-(4-nitrophenyl)ethanamine
CID 61064478
1-(5-bromothiophen-3-yl)-N-ethyl-2-(4-nitrophenyl)ethanamine
CID 107962847
5-bromo-2-(2-chloro-2-phenylethyl)-3-nitropyridine
CID 63205220
(1S)-N-ethyl-1-phenyl-2-pyridin-2-ylethanamine
CID 129365604

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-5-nitro-2-pyridinyl)-N-ethyl-1-phenylethanamine?
The IUPAC name of 2-(3-bromo-5-nitro-2-pyridinyl)-N-ethyl-1-phenylethanamine (CID 79531257) is 2-(3-bromo-5-nitro-2-pyridinyl)-N-ethyl-1-phenylethanamine.
What is the SMILES notation for 2-(3-bromo-5-nitro-2-pyridinyl)-N-ethyl-1-phenylethanamine?
The canonical SMILES for 2-(3-bromo-5-nitro-2-pyridinyl)-N-ethyl-1-phenylethanamine is CCNC(Cc1ncc([N+](=O)[O-])cc1Br)c1ccccc1.
What is the InChIKey of 2-(3-bromo-5-nitro-2-pyridinyl)-N-ethyl-1-phenylethanamine?
The InChIKey is HNDUCZHJPJJDER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN3O2/c1-2-17-14(11-6-4-3-5-7-11)9-15-13(16)8-12(10-18-15)19(20)21/h3-8,10,14,17H,2,9H2,1H3.
What are the key properties of 2-(3-bromo-5-nitro-2-pyridinyl)-N-ethyl-1-phenylethanamine?
2-(3-bromo-5-nitro-2-pyridinyl)-N-ethyl-1-phenylethanamine has a molecular weight of 350.22 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-5-nitro-2-pyridinyl)-N-ethyl-1-phenylethanamine is sourced from PubChem (CID 79531257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).