5-nitro-2-(1-phenylethyl)pyridin-3-amine

C13H13N3O2 — CID 150855644

IUPAC5-nitro-2-(1-phenylethyl)pyridin-3-amine
SMILESCC(c1ccccc1)c1ncc([N+](=O)[O-])cc1N
InChIInChI=1S/C13H13N3O2/c1-9(10-5-3-2-4-6-10)13-12(14)7-11(8-15-13)16(17)18/h2-9H,14H2,1H3
InChIKeyKQYHRGOGRCTFBC-UHFFFAOYSA-N
MW243.27 g/mol
LogP2.72
Rot. Bonds3

About 5-nitro-2-(1-phenylethyl)pyridin-3-amine

5-nitro-2-(1-phenylethyl)pyridin-3-amine (PubChem CID 150855644) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is 5-nitro-2-(1-phenylethyl)pyridin-3-amine.

Molecular Properties

Compound Name5-nitro-2-(1-phenylethyl)pyridin-3-amine
PubChem CID150855644
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC Name5-nitro-2-(1-phenylethyl)pyridin-3-amine
SMILESCC(c1ccccc1)c1ncc([N+](=O)[O-])cc1N
InChIInChI=1S/C13H13N3O2/c1-9(10-5-3-2-4-6-10)13-12(14)7-11(8-15-13)16(17)18/h2-9H,14H2,1H3
InChIKeyKQYHRGOGRCTFBC-UHFFFAOYSA-N
XLogP2.72
TPSA82.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 52.72
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

5-nitro-2-N-(1-phenylethyl)pyridine-2,3-diamine
CID 21157439
1-nitro-4-(1-phenylethyl)benzene
CID 11790935
3,5-dinitro-N-[(1R)-1-phenylethyl]pyridin-2-amine
CID 91983831
1-ethyl-4-nitrobenzene;1-phenylethylbenzene
CID 145486394
benzene;iron;nitrobenzene
CID 174446919
2-(2-amino-4-nitroanilino)-1-phenylethanol
CID 62508279
3-[(1S)-1-aminoethyl]-5-nitropyridin-2-amine
CID 131043079
3,5-dinitro-2-phenylpyridine
CID 14948543
5-nitro-3-(2-phenylethynyl)pyridin-2-amine
CID 59322901
(4-nitrophenyl)-phenylmethanamine
CID 19975165
N-[1-(4-nitrophenyl)ethyl]-1-phenylethanamine
CID 43297246
5-nitro-N-(1-phenylethyl)pyridin-2-amine
CID 571172

Frequently Asked Questions

What is the IUPAC name of 5-nitro-2-(1-phenylethyl)pyridin-3-amine?
The IUPAC name of 5-nitro-2-(1-phenylethyl)pyridin-3-amine (CID 150855644) is 5-nitro-2-(1-phenylethyl)pyridin-3-amine.
What is the SMILES notation for 5-nitro-2-(1-phenylethyl)pyridin-3-amine?
The canonical SMILES for 5-nitro-2-(1-phenylethyl)pyridin-3-amine is CC(c1ccccc1)c1ncc([N+](=O)[O-])cc1N.
What is the InChIKey of 5-nitro-2-(1-phenylethyl)pyridin-3-amine?
The InChIKey is KQYHRGOGRCTFBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2/c1-9(10-5-3-2-4-6-10)13-12(14)7-11(8-15-13)16(17)18/h2-9H,14H2,1H3.
What are the key properties of 5-nitro-2-(1-phenylethyl)pyridin-3-amine?
5-nitro-2-(1-phenylethyl)pyridin-3-amine has a molecular weight of 243.27 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-2-(1-phenylethyl)pyridin-3-amine is sourced from PubChem (CID 150855644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).