4-(4-methylphenyl)-2-(2-nitrophenyl)-6-pyridin-2-ylpyridine

C23H17N3O2 — CID 139713242

IUPAC4-(4-methylphenyl)-2-(2-nitrophenyl)-6-pyridin-2-ylpyridine
SMILESCc1ccc(-c2cc(-c3ccccn3)nc(-c3ccccc3[N+](=O)[O-])c2)cc1
InChIInChI=1S/C23H17N3O2/c1-16-9-11-17(12-10-16)18-14-21(19-6-2-3-8-23(19)26(27)28)25-22(15-18)20-7-4-5-13-24-20/h2-15H,1H3
InChIKeyCDDSUKAJOWJELB-UHFFFAOYSA-N
MW367.41 g/mol
LogP5.69
Rot. Bonds4

About 4-(4-methylphenyl)-2-(2-nitrophenyl)-6-pyridin-2-ylpyridine

4-(4-methylphenyl)-2-(2-nitrophenyl)-6-pyridin-2-ylpyridine (PubChem CID 139713242) has the molecular formula C23H17N3O2 and a molecular weight of 367.41 g/mol. Its IUPAC name is 4-(4-methylphenyl)-2-(2-nitrophenyl)-6-pyridin-2-ylpyridine.

Molecular Properties

Compound Name4-(4-methylphenyl)-2-(2-nitrophenyl)-6-pyridin-2-ylpyridine
PubChem CID139713242
Molecular FormulaC23H17N3O2
Molecular Weight367.41 g/mol
Exact Mass367.13
IUPAC Name4-(4-methylphenyl)-2-(2-nitrophenyl)-6-pyridin-2-ylpyridine
SMILESCc1ccc(-c2cc(-c3ccccn3)nc(-c3ccccc3[N+](=O)[O-])c2)cc1
InChIInChI=1S/C23H17N3O2/c1-16-9-11-17(12-10-16)18-14-21(19-6-2-3-8-23(19)26(27)28)25-22(15-18)20-7-4-5-13-24-20/h2-15H,1H3
InChIKeyCDDSUKAJOWJELB-UHFFFAOYSA-N
XLogP5.69
TPSA68.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.41
LogP ≤ 55.69
H-Bond Donors ≤ 50
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

ethane;4-(4-methylphenyl)-2,6-dipyridin-2-ylpyridine
CID 142185712
chloroplatinum(1+);4-(4-methylphenyl)-2,6-dipyridin-2-ylpyridine;chloride
CID 165430889
4-[4-[2-[4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]phenyl]phenyl]-2,6-dipyridin-2-ylpyridine
CID 122364716
4-[2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-2,6-dipyridin-2-ylpyridine
CID 122364714
4-(3-nitrophenyl)-2,6-dipyridin-2-ylpyridine
CID 12990785
4-(5-nitrothiophen-2-yl)-2,6-dipyridin-2-ylpyridine
CID 11417084
4-[2-(3-methylphenyl)-6-pyridin-2-yl-4-pyridinyl]benzoate
CID 102480222
6-[4-(4-nitrophenyl)-6-pyridin-2-yl-2-pyridinyl]pyridine-2-carbonitrile
CID 21195130
4-[4-[3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-5-methoxyphenyl]phenyl]-2,6-dipyridin-2-ylpyridine
CID 122221010
4-(3-methylphenyl)-2,6-dipyridin-2-ylpyridine
CID 22359756
4-(3,4-dimethylphenyl)-2,6-dipyridin-2-ylpyridine
CID 102129587
2-pyridin-2-yl-6-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-4-[2-pyridin-2-yl-6-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-4-pyridinyl]pyridine
CID 15448140

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenyl)-2-(2-nitrophenyl)-6-pyridin-2-ylpyridine?
The IUPAC name of 4-(4-methylphenyl)-2-(2-nitrophenyl)-6-pyridin-2-ylpyridine (CID 139713242) is 4-(4-methylphenyl)-2-(2-nitrophenyl)-6-pyridin-2-ylpyridine.
What is the SMILES notation for 4-(4-methylphenyl)-2-(2-nitrophenyl)-6-pyridin-2-ylpyridine?
The canonical SMILES for 4-(4-methylphenyl)-2-(2-nitrophenyl)-6-pyridin-2-ylpyridine is Cc1ccc(-c2cc(-c3ccccn3)nc(-c3ccccc3[N+](=O)[O-])c2)cc1.
What is the InChIKey of 4-(4-methylphenyl)-2-(2-nitrophenyl)-6-pyridin-2-ylpyridine?
The InChIKey is CDDSUKAJOWJELB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N3O2/c1-16-9-11-17(12-10-16)18-14-21(19-6-2-3-8-23(19)26(27)28)25-22(15-18)20-7-4-5-13-24-20/h2-15H,1H3.
What are the key properties of 4-(4-methylphenyl)-2-(2-nitrophenyl)-6-pyridin-2-ylpyridine?
4-(4-methylphenyl)-2-(2-nitrophenyl)-6-pyridin-2-ylpyridine has a molecular weight of 367.41 g/mol, XLogP of 5.69, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)-2-(2-nitrophenyl)-6-pyridin-2-ylpyridine is sourced from PubChem (CID 139713242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).