2-nitro-6-pyridin-2-yl-4-pyridin-3-ylaniline

C16H12N4O2 — CID 67004364

IUPAC2-nitro-6-pyridin-2-yl-4-pyridin-3-ylaniline
SMILESNc1c(-c2ccccn2)cc(-c2cccnc2)cc1[N+](=O)[O-]
InChIInChI=1S/C16H12N4O2/c17-16-13(14-5-1-2-7-19-14)8-12(9-15(16)20(21)22)11-4-3-6-18-10-11/h1-10H,17H2
InChIKeyAKAQNNXOVXOFNV-UHFFFAOYSA-N
MW292.30 g/mol
LogP3.30
Rot. Bonds3

About 2-nitro-6-pyridin-2-yl-4-pyridin-3-ylaniline

2-nitro-6-pyridin-2-yl-4-pyridin-3-ylaniline (PubChem CID 67004364) has the molecular formula C16H12N4O2 and a molecular weight of 292.30 g/mol. Its IUPAC name is 2-nitro-6-pyridin-2-yl-4-pyridin-3-ylaniline.

Molecular Properties

Compound Name2-nitro-6-pyridin-2-yl-4-pyridin-3-ylaniline
PubChem CID67004364
Molecular FormulaC16H12N4O2
Molecular Weight292.30 g/mol
Exact Mass292.10
IUPAC Name2-nitro-6-pyridin-2-yl-4-pyridin-3-ylaniline
SMILESNc1c(-c2ccccn2)cc(-c2cccnc2)cc1[N+](=O)[O-]
InChIInChI=1S/C16H12N4O2/c17-16-13(14-5-1-2-7-19-14)8-12(9-15(16)20(21)22)11-4-3-6-18-10-11/h1-10H,17H2
InChIKeyAKAQNNXOVXOFNV-UHFFFAOYSA-N
XLogP3.30
TPSA94.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-nitro-5-pyridin-2-ylpyridin-2-amine
CID 20556183
2-pyridin-3-ylpyridine;dihydrochloride
CID 67024611
2-nitro-5-pyridin-2-ylaniline
CID 89158283
1-pyridin-2-yl-3,6-dipyridin-3-yl-8-(3-pyridin-2-ylphenyl)-9H-carbazole
CID 140902369
2-pyridin-2-yl-5-(5-pyridin-3-yl-2-pyridinyl)pyridine
CID 100956208
2-(3-nitro-2-pyridinyl)-3-pyridin-2-ylpyridine
CID 162355373
2-pyridin-3-yl-5-[5-[5-(5-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]pyridine
CID 101019648
3-(3-bromo-5-nitrophenyl)pyridine
CID 119089037
3-nitro-4-pyridin-2-ylpyridin-2-amine
CID 118914696
2,6-dipyridin-2-yl-4-[4-(3-pyridin-3-ylphenyl)phenyl]pyridine
CID 126730922
3-(4-chloro-2-nitrophenyl)pyridine
CID 76852317
3-[2-nitro-4-(1H-pyrazol-4-yl)phenyl]pyridine
CID 155271804

Frequently Asked Questions

What is the IUPAC name of 2-nitro-6-pyridin-2-yl-4-pyridin-3-ylaniline?
The IUPAC name of 2-nitro-6-pyridin-2-yl-4-pyridin-3-ylaniline (CID 67004364) is 2-nitro-6-pyridin-2-yl-4-pyridin-3-ylaniline.
What is the SMILES notation for 2-nitro-6-pyridin-2-yl-4-pyridin-3-ylaniline?
The canonical SMILES for 2-nitro-6-pyridin-2-yl-4-pyridin-3-ylaniline is Nc1c(-c2ccccn2)cc(-c2cccnc2)cc1[N+](=O)[O-].
What is the InChIKey of 2-nitro-6-pyridin-2-yl-4-pyridin-3-ylaniline?
The InChIKey is AKAQNNXOVXOFNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4O2/c17-16-13(14-5-1-2-7-19-14)8-12(9-15(16)20(21)22)11-4-3-6-18-10-11/h1-10H,17H2.
What are the key properties of 2-nitro-6-pyridin-2-yl-4-pyridin-3-ylaniline?
2-nitro-6-pyridin-2-yl-4-pyridin-3-ylaniline has a molecular weight of 292.30 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitro-6-pyridin-2-yl-4-pyridin-3-ylaniline is sourced from PubChem (CID 67004364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).