5-nitro-N-[(1R)-1-phenylethyl]pyridin-2-amine

C13H13N3O2 — CID 11368515

IUPAC5-nitro-N-[(1R)-1-phenylethyl]pyridin-2-amine
SMILESC[C@@H](Nc1ccc([N+](=O)[O-])cn1)c1ccccc1
InChIInChI=1S/C13H13N3O2/c1-10(11-5-3-2-4-6-11)15-13-8-7-12(9-14-13)16(17)18/h2-10H,1H3,(H,14,15)/t10-/m1/s1
InChIKeyRAKMWGKBCDCUDX-SNVBAGLBSA-N
MW243.27 g/mol
LogP3.16
Rot. Bonds4

About 5-nitro-N-[(1R)-1-phenylethyl]pyridin-2-amine

5-nitro-N-[(1R)-1-phenylethyl]pyridin-2-amine (PubChem CID 11368515) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is 5-nitro-N-[(1R)-1-phenylethyl]pyridin-2-amine.

Molecular Properties

Compound Name5-nitro-N-[(1R)-1-phenylethyl]pyridin-2-amine
PubChem CID11368515
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC Name5-nitro-N-[(1R)-1-phenylethyl]pyridin-2-amine
SMILESC[C@@H](Nc1ccc([N+](=O)[O-])cn1)c1ccccc1
InChIInChI=1S/C13H13N3O2/c1-10(11-5-3-2-4-6-11)15-13-8-7-12(9-14-13)16(17)18/h2-10H,1H3,(H,14,15)/t10-/m1/s1
InChIKeyRAKMWGKBCDCUDX-SNVBAGLBSA-N
XLogP3.16
TPSA68.06 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 ≤ 53.16
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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Frequently Asked Questions

What is the IUPAC name of 5-nitro-N-[(1R)-1-phenylethyl]pyridin-2-amine?
The IUPAC name of 5-nitro-N-[(1R)-1-phenylethyl]pyridin-2-amine (CID 11368515) is 5-nitro-N-[(1R)-1-phenylethyl]pyridin-2-amine.
What is the SMILES notation for 5-nitro-N-[(1R)-1-phenylethyl]pyridin-2-amine?
The canonical SMILES for 5-nitro-N-[(1R)-1-phenylethyl]pyridin-2-amine is C[C@@H](Nc1ccc([N+](=O)[O-])cn1)c1ccccc1.
What is the InChIKey of 5-nitro-N-[(1R)-1-phenylethyl]pyridin-2-amine?
The InChIKey is RAKMWGKBCDCUDX-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H13N3O2/c1-10(11-5-3-2-4-6-11)15-13-8-7-12(9-14-13)16(17)18/h2-10H,1H3,(H,14,15)/t10-/m1/s1.
What are the key properties of 5-nitro-N-[(1R)-1-phenylethyl]pyridin-2-amine?
5-nitro-N-[(1R)-1-phenylethyl]pyridin-2-amine has a molecular weight of 243.27 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-N-[(1R)-1-phenylethyl]pyridin-2-amine is sourced from PubChem (CID 11368515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).