4-(5-nitrothiophen-2-yl)-2,6-dipyridin-2-ylpyridine

C19H12N4O2S — CID 11417084

IUPAC4-(5-nitrothiophen-2-yl)-2,6-dipyridin-2-ylpyridine
SMILESO=[N+]([O-])c1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)s1
InChIInChI=1S/C19H12N4O2S/c24-23(25)19-8-7-18(26-19)13-11-16(14-5-1-3-9-20-14)22-17(12-13)15-6-2-4-10-21-15/h1-12H
InChIKeyXVSDGAYIWMCCQH-UHFFFAOYSA-N
MW360.40 g/mol
LogP4.84
Rot. Bonds4

About 4-(5-nitrothiophen-2-yl)-2,6-dipyridin-2-ylpyridine

4-(5-nitrothiophen-2-yl)-2,6-dipyridin-2-ylpyridine (PubChem CID 11417084) has the molecular formula C19H12N4O2S and a molecular weight of 360.40 g/mol. Its IUPAC name is 4-(5-nitrothiophen-2-yl)-2,6-dipyridin-2-ylpyridine.

Molecular Properties

Compound Name4-(5-nitrothiophen-2-yl)-2,6-dipyridin-2-ylpyridine
PubChem CID11417084
Molecular FormulaC19H12N4O2S
Molecular Weight360.40 g/mol
Exact Mass360.07
IUPAC Name4-(5-nitrothiophen-2-yl)-2,6-dipyridin-2-ylpyridine
SMILESO=[N+]([O-])c1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)s1
InChIInChI=1S/C19H12N4O2S/c24-23(25)19-8-7-18(26-19)13-11-16(14-5-1-3-9-20-14)22-17(12-13)15-6-2-4-10-21-15/h1-12H
InChIKeyXVSDGAYIWMCCQH-UHFFFAOYSA-N
XLogP4.84
TPSA81.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.40
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

4-(3-nitrophenyl)-2,6-dipyridin-2-ylpyridine
CID 12990785
4-(4-methylphenyl)-2-(2-nitrophenyl)-6-pyridin-2-ylpyridine
CID 139713242
10-(5-nitrothiophen-2-yl)-22,25,30,33-tetraoxa-1,19,36,37,38-pentazapentacyclo[17.8.8.13,7.18,12.113,17]octatriaconta-3(38),4,6,8,10,12(37),13,15,17(36)-nonaene
CID 59855016
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
nickel(2+);2-pyridin-2-ylpyridine;nitrate
CID 22572268
4-[6-[6-(2,6-dipyridin-2-yl-4-pyridinyl)-2-pyridinyl]-2-pyridinyl]-2,6-dipyridin-2-ylpyridine
CID 171935887
2-pyridin-2-yl-4,6-dithiophen-2-ylpyridine
CID 10734487
copper;2-pyridin-2-ylpyridine;dinitrate;trihydrate
CID 173290754
4-[5-[5-(2,6-dipyridin-2-yl-4-pyridinyl)-4-methylthiophen-2-yl]-3-methylthiophen-2-yl]-2,6-dipyridin-2-ylpyridine
CID 102264040
4-[3-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-2,6-dipyridin-2-ylpyridine
CID 102048585
ethane;4-(4-methylphenyl)-2,6-dipyridin-2-ylpyridine
CID 142185712
6-[4-(4-nitrophenyl)-6-pyridin-2-yl-2-pyridinyl]pyridine-2-carbonitrile
CID 21195130

Frequently Asked Questions

What is the IUPAC name of 4-(5-nitrothiophen-2-yl)-2,6-dipyridin-2-ylpyridine?
The IUPAC name of 4-(5-nitrothiophen-2-yl)-2,6-dipyridin-2-ylpyridine (CID 11417084) is 4-(5-nitrothiophen-2-yl)-2,6-dipyridin-2-ylpyridine.
What is the SMILES notation for 4-(5-nitrothiophen-2-yl)-2,6-dipyridin-2-ylpyridine?
The canonical SMILES for 4-(5-nitrothiophen-2-yl)-2,6-dipyridin-2-ylpyridine is O=[N+]([O-])c1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)s1.
What is the InChIKey of 4-(5-nitrothiophen-2-yl)-2,6-dipyridin-2-ylpyridine?
The InChIKey is XVSDGAYIWMCCQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12N4O2S/c24-23(25)19-8-7-18(26-19)13-11-16(14-5-1-3-9-20-14)22-17(12-13)15-6-2-4-10-21-15/h1-12H.
What are the key properties of 4-(5-nitrothiophen-2-yl)-2,6-dipyridin-2-ylpyridine?
4-(5-nitrothiophen-2-yl)-2,6-dipyridin-2-ylpyridine has a molecular weight of 360.40 g/mol, XLogP of 4.84, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-nitrothiophen-2-yl)-2,6-dipyridin-2-ylpyridine is sourced from PubChem (CID 11417084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).