3-bromo-5-nitropyridin-2-amine;3-(5-chloro-2-pyridin-3-yl-4-pyridinyl)-5-nitropyridin-2-amine;(5-chloro-2-pyridin-3-yl-4-pyridinyl)-trimethylstannane

C33H29BrCl2N10O4Sn — CID 161217841

IUPAC3-bromo-5-nitropyridin-2-amine;3-(5-chloro-2-pyridin-3-yl-4-pyridinyl)-5-nitropyridin-2-amine;(5-chloro-2-pyridin-3-yl-4-pyridinyl)-trimethylstannane
SMILESC[Sn](C)(C)c1cc(-c2cccnc2)ncc1Cl.Nc1ncc([N+](=O)[O-])cc1-c1cc(-c2cccnc2)ncc1Cl.Nc1ncc([N+](=O)[O-])cc1Br
InChIInChI=1S/C15H10ClN5O2.C10H6ClN2.C5H4BrN3O2.3CH3.Sn/c16-13-8-19-14(9-2-1-3-18-6-9)5-11(13)12-4-10(21(22)23)7-20-15(12)17;11-9-3-4-10(13-7-9)8-2-1-5-12-6-8;6-4-1-3(9(10)11)2-8-5(4)7;;;;/h1-8H,(H2,17,20);1-2,4-7H;1-2H,(H2,7,8);3*1H3;
InChIKeyUXCMKSAEGFDTJF-UHFFFAOYSA-N
MW899.18 g/mol
LogP8.03
Rot. Bonds6

About 3-bromo-5-nitropyridin-2-amine;3-(5-chloro-2-pyridin-3-yl-4-pyridinyl)-5-nitropyridin-2-amine;(5-chloro-2-pyridin-3-yl-4-pyridinyl)-trimethylstannane

3-bromo-5-nitropyridin-2-amine;3-(5-chloro-2-pyridin-3-yl-4-pyridinyl)-5-nitropyridin-2-amine;(5-chloro-2-pyridin-3-yl-4-pyridinyl)-trimethylstannane (PubChem CID 161217841) has the molecular formula C33H29BrCl2N10O4Sn and a molecular weight of 899.18 g/mol. Its IUPAC name is 3-bromo-5-nitropyridin-2-amine;3-(5-chloro-2-pyridin-3-yl-4-pyridinyl)-5-nitropyridin-2-amine;(5-chloro-2-pyridin-3-yl-4-pyridinyl)-trimethylstannane.

Molecular Properties

Compound Name3-bromo-5-nitropyridin-2-amine;3-(5-chloro-2-pyridin-3-yl-4-pyridinyl)-5-nitropyridin-2-amine;(5-chloro-2-pyridin-3-yl-4-pyridinyl)-trimethylstannane
PubChem CID161217841
Molecular FormulaC33H29BrCl2N10O4Sn
Molecular Weight899.18 g/mol
Exact Mass898.00
IUPAC Name3-bromo-5-nitropyridin-2-amine;3-(5-chloro-2-pyridin-3-yl-4-pyridinyl)-5-nitropyridin-2-amine;(5-chloro-2-pyridin-3-yl-4-pyridinyl)-trimethylstannane
SMILESC[Sn](C)(C)c1cc(-c2cccnc2)ncc1Cl.Nc1ncc([N+](=O)[O-])cc1-c1cc(-c2cccnc2)ncc1Cl.Nc1ncc([N+](=O)[O-])cc1Br
InChIInChI=1S/C15H10ClN5O2.C10H6ClN2.C5H4BrN3O2.3CH3.Sn/c16-13-8-19-14(9-2-1-3-18-6-9)5-11(13)12-4-10(21(22)23)7-20-15(12)17;11-9-3-4-10(13-7-9)8-2-1-5-12-6-8;6-4-1-3(9(10)11)2-8-5(4)7;;;;/h1-8H,(H2,17,20);1-2,4-7H;1-2H,(H2,7,8);3*1H3;
InChIKeyUXCMKSAEGFDTJF-UHFFFAOYSA-N
XLogP8.03
TPSA215.66 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds6
Heavy Atoms51
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500899.18
LogP ≤ 58.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

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-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-6-pyridin-2-ylpyrazin-2-amine;N-(4-methyl-3-nitropyridin-2-yl)-6-pyridin-2-ylpyrazin-2-amine
CID 160819383
3-(5-Chloro-2-pyridin-3-yl-4-pyridinyl)-5-nitropyridin-2-amine
CID 58354736
3''-Chloro-5'-nitro-3,2':3',4''-terpyridin-6'-amine
CID 59595961
5,6-Bis(3-chloro-4-pyridinyl)-3-nitropyridin-2-amine
CID 59595973
3-Bromo-3'-chloro-5-nitro-2,4'-bipyridin-6-amine
CID 59595999
3-Chloro-5'-nitro-4,2':3',4''-terpyridin-6'-amine
CID 59596004
5-(3-Chloro-4-pyridinyl)-3-nitro-6-pyridin-4-ylpyridin-2-amine
CID 59596011
6-(2-Amino-5-chloro-4-pyridinyl)-5-bromo-3-nitropyridin-2-amine
CID 68788594
3-(5-Chloro-2-pyridin-3-yl-4-pyridinyl)-5-nitropyridin-2-amine;3-(5-chloro-2-pyridin-3-yl-4-pyridinyl)pyridine-2,5-diamine;dichlorotin;ethanol
CID 157776821
4-Chloro-3-nitropyridin-2-amine;dichloropalladium;methanol;3-nitro-4-pyridin-2-ylpyridin-2-amine;4-pyridin-2-ylpyridine-2,3-diamine;tributyl(pyridin-2-yl)stannane;bis(triphenylphosphane)
CID 157928566
5-Bromo-2-propan-2-ylpyridine;2-chloro-5-propan-2-ylpyrazine;5-chloro-2-propan-2-ylpyridine;bis(2-ethynyl-5-propan-2-ylpyrazine);2-isocyano-5-propan-2-ylpyrazine;5-isocyano-2-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyrazine
CID 157976123
4-Chloro-3-nitropyridin-2-amine;dichloropalladium;methane;methanol;3-nitro-4-pyridin-2-ylpyridin-2-amine;4-pyridin-2-ylpyridine-2,3-diamine;tributyl(pyridin-2-yl)stannane;bis(triphenylphosphane)
CID 158234250

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-nitropyridin-2-amine;3-(5-chloro-2-pyridin-3-yl-4-pyridinyl)-5-nitropyridin-2-amine;(5-chloro-2-pyridin-3-yl-4-pyridinyl)-trimethylstannane?
The IUPAC name of 3-bromo-5-nitropyridin-2-amine;3-(5-chloro-2-pyridin-3-yl-4-pyridinyl)-5-nitropyridin-2-amine;(5-chloro-2-pyridin-3-yl-4-pyridinyl)-trimethylstannane (CID 161217841) is 3-bromo-5-nitropyridin-2-amine;3-(5-chloro-2-pyridin-3-yl-4-pyridinyl)-5-nitropyridin-2-amine;(5-chloro-2-pyridin-3-yl-4-pyridinyl)-trimethylstannane.
What is the SMILES notation for 3-bromo-5-nitropyridin-2-amine;3-(5-chloro-2-pyridin-3-yl-4-pyridinyl)-5-nitropyridin-2-amine;(5-chloro-2-pyridin-3-yl-4-pyridinyl)-trimethylstannane?
The canonical SMILES for 3-bromo-5-nitropyridin-2-amine;3-(5-chloro-2-pyridin-3-yl-4-pyridinyl)-5-nitropyridin-2-amine;(5-chloro-2-pyridin-3-yl-4-pyridinyl)-trimethylstannane is C[Sn](C)(C)c1cc(-c2cccnc2)ncc1Cl.Nc1ncc([N+](=O)[O-])cc1-c1cc(-c2cccnc2)ncc1Cl.Nc1ncc([N+](=O)[O-])cc1Br.
What is the InChIKey of 3-bromo-5-nitropyridin-2-amine;3-(5-chloro-2-pyridin-3-yl-4-pyridinyl)-5-nitropyridin-2-amine;(5-chloro-2-pyridin-3-yl-4-pyridinyl)-trimethylstannane?
The InChIKey is UXCMKSAEGFDTJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClN5O2.C10H6ClN2.C5H4BrN3O2.3CH3.Sn/c16-13-8-19-14(9-2-1-3-18-6-9)5-11(13)12-4-10(21(22)23)7-20-15(12)17;11-9-3-4-10(13-7-9)8-2-1-5-12-6-8;6-4-1-3(9(10)11)2-8-5(4)7;;;;/h1-8H,(H2,17,20);1-2,4-7H;1-2H,(H2,7,8);3*1H3;.
What are the key properties of 3-bromo-5-nitropyridin-2-amine;3-(5-chloro-2-pyridin-3-yl-4-pyridinyl)-5-nitropyridin-2-amine;(5-chloro-2-pyridin-3-yl-4-pyridinyl)-trimethylstannane?
3-bromo-5-nitropyridin-2-amine;3-(5-chloro-2-pyridin-3-yl-4-pyridinyl)-5-nitropyridin-2-amine;(5-chloro-2-pyridin-3-yl-4-pyridinyl)-trimethylstannane has a molecular weight of 899.18 g/mol, XLogP of 8.03, 6 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-nitropyridin-2-amine;3-(5-chloro-2-pyridin-3-yl-4-pyridinyl)-5-nitropyridin-2-amine;(5-chloro-2-pyridin-3-yl-4-pyridinyl)-trimethylstannane is sourced from PubChem (CID 161217841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).