2-(5-nitro-2-pyridinyl)-1-phenylethanamine

C13H13N3O2 — CID 55162185

IUPAC2-(5-nitro-2-pyridinyl)-1-phenylethanamine
SMILESNC(Cc1ccc([N+](=O)[O-])cn1)c1ccccc1
InChIInChI=1S/C13H13N3O2/c14-13(10-4-2-1-3-5-10)8-11-6-7-12(9-15-11)16(17)18/h1-7,9,13H,8,14H2
InChIKeyZLUBUPQJZFFXDN-UHFFFAOYSA-N
MW243.27 g/mol
LogP2.23
Rot. Bonds4

About 2-(5-nitro-2-pyridinyl)-1-phenylethanamine

2-(5-nitro-2-pyridinyl)-1-phenylethanamine (PubChem CID 55162185) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is 2-(5-nitro-2-pyridinyl)-1-phenylethanamine.

Molecular Properties

Compound Name2-(5-nitro-2-pyridinyl)-1-phenylethanamine
PubChem CID55162185
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC Name2-(5-nitro-2-pyridinyl)-1-phenylethanamine
SMILESNC(Cc1ccc([N+](=O)[O-])cn1)c1ccccc1
InChIInChI=1S/C13H13N3O2/c14-13(10-4-2-1-3-5-10)8-11-6-7-12(9-15-11)16(17)18/h1-7,9,13H,8,14H2
InChIKeyZLUBUPQJZFFXDN-UHFFFAOYSA-N
XLogP2.23
TPSA82.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 52.23
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

(2R)-1-(5-nitro-2-pyridinyl)propan-2-amine
CID 95028659
3,3-dimethyl-1-(5-nitro-2-pyridinyl)butan-2-amine
CID 63196346
N'-(5-nitro-2-pyridinyl)-1-phenylethane-1,2-diamine
CID 63120270
2-(5-methyl-2-pyridinyl)-1-phenylethanamine
CID 63196674
2-(2-chloropropyl)-5-nitropyridine
CID 63205077
2-(2-iodo-4-nitrophenyl)-1-phenylethanamine
CID 66092891
3-(4-nitrophenoxy)-1-phenylpropan-1-amine
CID 173162895
(4-nitrophenyl)-phenylmethanamine
CID 19975165
N-methyl-1-(5-nitro-2-pyridinyl)methanamine
CID 144940815
nitro(phenyl)methanamine
CID 174706034
2-(2-bromo-2-phenylethyl)-5-nitropyrimidine
CID 63202569
methane;5-nitropyridin-2-amine
CID 174857781

Frequently Asked Questions

What is the IUPAC name of 2-(5-nitro-2-pyridinyl)-1-phenylethanamine?
The IUPAC name of 2-(5-nitro-2-pyridinyl)-1-phenylethanamine (CID 55162185) is 2-(5-nitro-2-pyridinyl)-1-phenylethanamine.
What is the SMILES notation for 2-(5-nitro-2-pyridinyl)-1-phenylethanamine?
The canonical SMILES for 2-(5-nitro-2-pyridinyl)-1-phenylethanamine is NC(Cc1ccc([N+](=O)[O-])cn1)c1ccccc1.
What is the InChIKey of 2-(5-nitro-2-pyridinyl)-1-phenylethanamine?
The InChIKey is ZLUBUPQJZFFXDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2/c14-13(10-4-2-1-3-5-10)8-11-6-7-12(9-15-11)16(17)18/h1-7,9,13H,8,14H2.
What are the key properties of 2-(5-nitro-2-pyridinyl)-1-phenylethanamine?
2-(5-nitro-2-pyridinyl)-1-phenylethanamine has a molecular weight of 243.27 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-nitro-2-pyridinyl)-1-phenylethanamine is sourced from PubChem (CID 55162185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).