6-nitro-N-(1-pyridin-2-ylethyl)pyridin-3-amine

C12H12N4O2 — CID 60631531

IUPAC6-nitro-N-(1-pyridin-2-ylethyl)pyridin-3-amine
SMILESCC(Nc1ccc([N+](=O)[O-])nc1)c1ccccn1
InChIInChI=1S/C12H12N4O2/c1-9(11-4-2-3-7-13-11)15-10-5-6-12(14-8-10)16(17)18/h2-9,15H,1H3
InChIKeyXYBYDNPSNZCQCD-UHFFFAOYSA-N
MW244.25 g/mol
LogP2.56
Rot. Bonds4

About 6-nitro-N-(1-pyridin-2-ylethyl)pyridin-3-amine

6-nitro-N-(1-pyridin-2-ylethyl)pyridin-3-amine (PubChem CID 60631531) has the molecular formula C12H12N4O2 and a molecular weight of 244.25 g/mol. Its IUPAC name is 6-nitro-N-(1-pyridin-2-ylethyl)pyridin-3-amine.

Molecular Properties

Compound Name6-nitro-N-(1-pyridin-2-ylethyl)pyridin-3-amine
PubChem CID60631531
Molecular FormulaC12H12N4O2
Molecular Weight244.25 g/mol
Exact Mass244.10
IUPAC Name6-nitro-N-(1-pyridin-2-ylethyl)pyridin-3-amine
SMILESCC(Nc1ccc([N+](=O)[O-])nc1)c1ccccn1
InChIInChI=1S/C12H12N4O2/c1-9(11-4-2-3-7-13-11)15-10-5-6-12(14-8-10)16(17)18/h2-9,15H,1H3
InChIKeyXYBYDNPSNZCQCD-UHFFFAOYSA-N
XLogP2.56
TPSA80.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 52.56
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

N-[1-(2-fluorophenyl)ethyl]-6-nitropyridin-3-amine
CID 60631383
N-[1-(5-methylfuran-2-yl)ethyl]-6-nitropyridin-3-amine
CID 62543911
3-fluoro-5-nitro-N-(1-pyridin-2-ylethyl)aniline
CID 60875745
3-bromo-5-nitro-N-(1-pyridin-2-ylethyl)pyridin-4-amine
CID 103877877
N-methyl-2-[(6-nitro-3-pyridinyl)amino]propanamide
CID 62545034
4-chloro-N-(1-pyridin-2-ylethyl)aniline
CID 43194293
4-(1-pyridin-2-ylethylamino)phenol
CID 43742707
2-nitro-3-N-(1-pyridin-2-ylethyl)benzene-1,3-diamine
CID 80782253
6-nitro-N-[(1S)-1-pyridin-2-ylethyl]-1,3-benzothiazol-2-amine
CID 95146064
3,5-dimethyl-N-(1-pyridin-2-ylethyl)aniline
CID 43195401
2-(2-nitrophenoxy)-N-[(1S)-1-pyridin-2-ylethyl]acetamide
CID 8700556
5-fluoro-4-iodo-2-nitro-N-(1-pyridin-2-ylethyl)aniline
CID 66102193

Frequently Asked Questions

What is the IUPAC name of 6-nitro-N-(1-pyridin-2-ylethyl)pyridin-3-amine?
The IUPAC name of 6-nitro-N-(1-pyridin-2-ylethyl)pyridin-3-amine (CID 60631531) is 6-nitro-N-(1-pyridin-2-ylethyl)pyridin-3-amine.
What is the SMILES notation for 6-nitro-N-(1-pyridin-2-ylethyl)pyridin-3-amine?
The canonical SMILES for 6-nitro-N-(1-pyridin-2-ylethyl)pyridin-3-amine is CC(Nc1ccc([N+](=O)[O-])nc1)c1ccccn1.
What is the InChIKey of 6-nitro-N-(1-pyridin-2-ylethyl)pyridin-3-amine?
The InChIKey is XYBYDNPSNZCQCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O2/c1-9(11-4-2-3-7-13-11)15-10-5-6-12(14-8-10)16(17)18/h2-9,15H,1H3.
What are the key properties of 6-nitro-N-(1-pyridin-2-ylethyl)pyridin-3-amine?
6-nitro-N-(1-pyridin-2-ylethyl)pyridin-3-amine has a molecular weight of 244.25 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-nitro-N-(1-pyridin-2-ylethyl)pyridin-3-amine is sourced from PubChem (CID 60631531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).