2-bromopyridine;2-chloro-3-nitropyridine;3-nitro-2-pyridin-2-ylpyridine;2-pyridin-2-ylpyridin-3-amine;tributyl(chloro)stannane;tributyl(pyridin-2-yl)stannane

C59H81BrCl2N10O4Sn2 — CID 159283228

IUPAC2-bromopyridine;2-chloro-3-nitropyridine;3-nitro-2-pyridin-2-ylpyridine;2-pyridin-2-ylpyridin-3-amine;tributyl(chloro)stannane;tributyl(pyridin-2-yl)stannane
SMILESBrc1ccccn1.CCCC[Sn](CCCC)(CCCC)c1ccccn1.CCCC[Sn](Cl)(CCCC)CCCC.Nc1cccnc1-c1ccccn1.O=[N+]([O-])c1cccnc1-c1ccccn1.O=[N+]([O-])c1cccnc1Cl
InChIInChI=1S/C10H7N3O2.C10H9N3.C5H4BrN.C5H3ClN2O2.C5H4N.6C4H9.ClH.2Sn/c14-13(15)9-5-3-7-12-10(9)8-4-1-2-6-11-8;11-8-4-3-7-13-10(8)9-5-1-2-6-12-9;6-5-3-1-2-4-7-5;6-5-4(8(9)10)2-1-3-7-5;1-2-4-6-5-3-1;6*1-3-4-2;;;/h1-7H;1-7H,11H2;1-4H;1-3H;1-4H;6*1,3-4H2,2H3;1H;;/q;;;;;;;;;;;;;+1/p-1
InChIKeyKZEKUVWVYPVJCO-UHFFFAOYSA-M
MW1382.59 g/mol
LogP17.97
Rot. Bonds23

About 2-bromopyridine;2-chloro-3-nitropyridine;3-nitro-2-pyridin-2-ylpyridine;2-pyridin-2-ylpyridin-3-amine;tributyl(chloro)stannane;tributyl(pyridin-2-yl)stannane

2-bromopyridine;2-chloro-3-nitropyridine;3-nitro-2-pyridin-2-ylpyridine;2-pyridin-2-ylpyridin-3-amine;tributyl(chloro)stannane;tributyl(pyridin-2-yl)stannane (PubChem CID 159283228) has the molecular formula C59H81BrCl2N10O4Sn2 and a molecular weight of 1382.59 g/mol. Its IUPAC name is 2-bromopyridine;2-chloro-3-nitropyridine;3-nitro-2-pyridin-2-ylpyridine;2-pyridin-2-ylpyridin-3-amine;tributyl(chloro)stannane;tributyl(pyridin-2-yl)stannane.

Molecular Properties

Compound Name2-bromopyridine;2-chloro-3-nitropyridine;3-nitro-2-pyridin-2-ylpyridine;2-pyridin-2-ylpyridin-3-amine;tributyl(chloro)stannane;tributyl(pyridin-2-yl)stannane
PubChem CID159283228
Molecular FormulaC59H81BrCl2N10O4Sn2
Molecular Weight1382.59 g/mol
Exact Mass1382.30
IUPAC Name2-bromopyridine;2-chloro-3-nitropyridine;3-nitro-2-pyridin-2-ylpyridine;2-pyridin-2-ylpyridin-3-amine;tributyl(chloro)stannane;tributyl(pyridin-2-yl)stannane
SMILESBrc1ccccn1.CCCC[Sn](CCCC)(CCCC)c1ccccn1.CCCC[Sn](Cl)(CCCC)CCCC.Nc1cccnc1-c1ccccn1.O=[N+]([O-])c1cccnc1-c1ccccn1.O=[N+]([O-])c1cccnc1Cl
InChIInChI=1S/C10H7N3O2.C10H9N3.C5H4BrN.C5H3ClN2O2.C5H4N.6C4H9.ClH.2Sn/c14-13(15)9-5-3-7-12-10(9)8-4-1-2-6-11-8;11-8-4-3-7-13-10(8)9-5-1-2-6-12-9;6-5-3-1-2-4-7-5;6-5-4(8(9)10)2-1-3-7-5;1-2-4-6-5-3-1;6*1-3-4-2;;;/h1-7H;1-7H,11H2;1-4H;1-3H;1-4H;6*1,3-4H2,2H3;1H;;/q;;;;;;;;;;;;;+1/p-1
InChIKeyKZEKUVWVYPVJCO-UHFFFAOYSA-M
XLogP17.97
TPSA202.53 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds23
Heavy Atoms78
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001382.59
LogP ≤ 517.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'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 2-bromopyridine;2-chloro-3-nitropyridine;3-nitro-2-pyridin-2-ylpyridine;2-pyridin-2-ylpyridin-3-amine;tributyl(chloro)stannane;tributyl(pyridin-2-yl)stannane?
The IUPAC name of 2-bromopyridine;2-chloro-3-nitropyridine;3-nitro-2-pyridin-2-ylpyridine;2-pyridin-2-ylpyridin-3-amine;tributyl(chloro)stannane;tributyl(pyridin-2-yl)stannane (CID 159283228) is 2-bromopyridine;2-chloro-3-nitropyridine;3-nitro-2-pyridin-2-ylpyridine;2-pyridin-2-ylpyridin-3-amine;tributyl(chloro)stannane;tributyl(pyridin-2-yl)stannane.
What is the SMILES notation for 2-bromopyridine;2-chloro-3-nitropyridine;3-nitro-2-pyridin-2-ylpyridine;2-pyridin-2-ylpyridin-3-amine;tributyl(chloro)stannane;tributyl(pyridin-2-yl)stannane?
The canonical SMILES for 2-bromopyridine;2-chloro-3-nitropyridine;3-nitro-2-pyridin-2-ylpyridine;2-pyridin-2-ylpyridin-3-amine;tributyl(chloro)stannane;tributyl(pyridin-2-yl)stannane is Brc1ccccn1.CCCC[Sn](CCCC)(CCCC)c1ccccn1.CCCC[Sn](Cl)(CCCC)CCCC.Nc1cccnc1-c1ccccn1.O=[N+]([O-])c1cccnc1-c1ccccn1.O=[N+]([O-])c1cccnc1Cl.
What is the InChIKey of 2-bromopyridine;2-chloro-3-nitropyridine;3-nitro-2-pyridin-2-ylpyridine;2-pyridin-2-ylpyridin-3-amine;tributyl(chloro)stannane;tributyl(pyridin-2-yl)stannane?
The InChIKey is KZEKUVWVYPVJCO-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H7N3O2.C10H9N3.C5H4BrN.C5H3ClN2O2.C5H4N.6C4H9.ClH.2Sn/c14-13(15)9-5-3-7-12-10(9)8-4-1-2-6-11-8;11-8-4-3-7-13-10(8)9-5-1-2-6-12-9;6-5-3-1-2-4-7-5;6-5-4(8(9)10)2-1-3-7-5;1-2-4-6-5-3-1;6*1-3-4-2;;;/h1-7H;1-7H,11H2;1-4H;1-3H;1-4H;6*1,3-4H2,2H3;1H;;/q;;;;;;;;;;;;;+1/p-1.
What are the key properties of 2-bromopyridine;2-chloro-3-nitropyridine;3-nitro-2-pyridin-2-ylpyridine;2-pyridin-2-ylpyridin-3-amine;tributyl(chloro)stannane;tributyl(pyridin-2-yl)stannane?
2-bromopyridine;2-chloro-3-nitropyridine;3-nitro-2-pyridin-2-ylpyridine;2-pyridin-2-ylpyridin-3-amine;tributyl(chloro)stannane;tributyl(pyridin-2-yl)stannane has a molecular weight of 1382.59 g/mol, XLogP of 17.97, 23 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromopyridine;2-chloro-3-nitropyridine;3-nitro-2-pyridin-2-ylpyridine;2-pyridin-2-ylpyridin-3-amine;tributyl(chloro)stannane;tributyl(pyridin-2-yl)stannane is sourced from PubChem (CID 159283228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).