5-bromopyridin-3-amine;2-(5-bromo-3-pyridinyl)-N,N-dimethylacetamide;1,1-diiodoethane;N,N-dimethylcarbamoyl chloride;ethane;iodoethane;methane

C26H49Br2ClI3N5O2 — CID 160553854

IUPAC5-bromopyridin-3-amine;2-(5-bromo-3-pyridinyl)-N,N-dimethylacetamide;1,1-diiodoethane;N,N-dimethylcarbamoyl chloride;ethane;iodoethane;methane
SMILESC.C.C.CC.CC(I)I.CCI.CN(C)C(=O)Cc1cncc(Br)c1.CN(C)C(=O)Cl.Nc1cncc(Br)c1
InChIInChI=1S/C9H11BrN2O.C5H5BrN2.C3H6ClNO.C2H4I2.C2H5I.C2H6.3CH4/c1-12(2)9(13)4-7-3-8(10)6-11-5-7;6-4-1-5(7)3-8-2-4;1-5(2)3(4)6;1-2(3)4;1-2-3;1-2;;;/h3,5-6H,4H2,1-2H3;1-3H,7H2;1-2H3;2H,1H3;2H2,1H3;1-2H3;3*1H4
InChIKeyQYKPQJKGPUHHMA-UHFFFAOYSA-N
MW1039.68 g/mol
LogP10.39
Rot. Bonds2

About 5-bromopyridin-3-amine;2-(5-bromo-3-pyridinyl)-N,N-dimethylacetamide;1,1-diiodoethane;N,N-dimethylcarbamoyl chloride;ethane;iodoethane;methane

5-bromopyridin-3-amine;2-(5-bromo-3-pyridinyl)-N,N-dimethylacetamide;1,1-diiodoethane;N,N-dimethylcarbamoyl chloride;ethane;iodoethane;methane (PubChem CID 160553854) has the molecular formula C26H49Br2ClI3N5O2 and a molecular weight of 1039.68 g/mol. Its IUPAC name is 5-bromopyridin-3-amine;2-(5-bromo-3-pyridinyl)-N,N-dimethylacetamide;1,1-diiodoethane;N,N-dimethylcarbamoyl chloride;ethane;iodoethane;methane.

Molecular Properties

Compound Name5-bromopyridin-3-amine;2-(5-bromo-3-pyridinyl)-N,N-dimethylacetamide;1,1-diiodoethane;N,N-dimethylcarbamoyl chloride;ethane;iodoethane;methane
PubChem CID160553854
Molecular FormulaC26H49Br2ClI3N5O2
Molecular Weight1039.68 g/mol
Exact Mass1036.91
IUPAC Name5-bromopyridin-3-amine;2-(5-bromo-3-pyridinyl)-N,N-dimethylacetamide;1,1-diiodoethane;N,N-dimethylcarbamoyl chloride;ethane;iodoethane;methane
SMILESC.C.C.CC.CC(I)I.CCI.CN(C)C(=O)Cc1cncc(Br)c1.CN(C)C(=O)Cl.Nc1cncc(Br)c1
InChIInChI=1S/C9H11BrN2O.C5H5BrN2.C3H6ClNO.C2H4I2.C2H5I.C2H6.3CH4/c1-12(2)9(13)4-7-3-8(10)6-11-5-7;6-4-1-5(7)3-8-2-4;1-5(2)3(4)6;1-2(3)4;1-2-3;1-2;;;/h3,5-6H,4H2,1-2H3;1-3H,7H2;1-2H3;2H,1H3;2H2,1H3;1-2H3;3*1H4
InChIKeyQYKPQJKGPUHHMA-UHFFFAOYSA-N
XLogP10.39
TPSA92.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001039.68
LogP ≤ 510.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

5-bromopyridin-3-amine;1-(5-bromo-3-pyridinyl)-3-methylbutan-2-one;carbanide;ethane;iodoethane;2-methylpropanoyl chloride;triiodovanadium
CID 159559590
3-bromo-5-(2-methylpropyl)pyridine;5-bromopyridin-3-amine;1-iodopropane;methanol;propan-2-one;vanadium
CID 158813640
1-(3-amino-5-bromophenyl)-2-(5-bromo-3-pyridinyl)ethanone
CID 116597271
3-amino-1-(5-bromo-3-pyridinyl)heptan-2-one
CID 116556893
1-(5-bromo-3-pyridinyl)-3-hydroxy-4-methylpentan-2-one
CID 103455295
4-amino-1-(5-bromo-3-pyridinyl)-5-methylhexan-2-one
CID 116606465
5-bromopyridin-3-amine;formamide
CID 175312718
3-[(5-bromo-3-pyridinyl)methylamino]-N,N-dimethylpropanamide
CID 104796849
1-(5-bromo-3-pyridinyl)-3-propan-2-ylsulfanylpropan-2-one
CID 104798958
1-(1-aminocyclopropyl)-2-(5-bromo-3-pyridinyl)ethanone
CID 116576762
1-(5-bromo-3-pyridinyl)-3-methoxypentan-2-one
CID 116707295
sodium;5-bromopyridin-3-amine;hydroxide
CID 142881303

Frequently Asked Questions

What is the IUPAC name of 5-bromopyridin-3-amine;2-(5-bromo-3-pyridinyl)-N,N-dimethylacetamide;1,1-diiodoethane;N,N-dimethylcarbamoyl chloride;ethane;iodoethane;methane?
The IUPAC name of 5-bromopyridin-3-amine;2-(5-bromo-3-pyridinyl)-N,N-dimethylacetamide;1,1-diiodoethane;N,N-dimethylcarbamoyl chloride;ethane;iodoethane;methane (CID 160553854) is 5-bromopyridin-3-amine;2-(5-bromo-3-pyridinyl)-N,N-dimethylacetamide;1,1-diiodoethane;N,N-dimethylcarbamoyl chloride;ethane;iodoethane;methane.
What is the SMILES notation for 5-bromopyridin-3-amine;2-(5-bromo-3-pyridinyl)-N,N-dimethylacetamide;1,1-diiodoethane;N,N-dimethylcarbamoyl chloride;ethane;iodoethane;methane?
The canonical SMILES for 5-bromopyridin-3-amine;2-(5-bromo-3-pyridinyl)-N,N-dimethylacetamide;1,1-diiodoethane;N,N-dimethylcarbamoyl chloride;ethane;iodoethane;methane is C.C.C.CC.CC(I)I.CCI.CN(C)C(=O)Cc1cncc(Br)c1.CN(C)C(=O)Cl.Nc1cncc(Br)c1.
What is the InChIKey of 5-bromopyridin-3-amine;2-(5-bromo-3-pyridinyl)-N,N-dimethylacetamide;1,1-diiodoethane;N,N-dimethylcarbamoyl chloride;ethane;iodoethane;methane?
The InChIKey is QYKPQJKGPUHHMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN2O.C5H5BrN2.C3H6ClNO.C2H4I2.C2H5I.C2H6.3CH4/c1-12(2)9(13)4-7-3-8(10)6-11-5-7;6-4-1-5(7)3-8-2-4;1-5(2)3(4)6;1-2(3)4;1-2-3;1-2;;;/h3,5-6H,4H2,1-2H3;1-3H,7H2;1-2H3;2H,1H3;2H2,1H3;1-2H3;3*1H4.
What are the key properties of 5-bromopyridin-3-amine;2-(5-bromo-3-pyridinyl)-N,N-dimethylacetamide;1,1-diiodoethane;N,N-dimethylcarbamoyl chloride;ethane;iodoethane;methane?
5-bromopyridin-3-amine;2-(5-bromo-3-pyridinyl)-N,N-dimethylacetamide;1,1-diiodoethane;N,N-dimethylcarbamoyl chloride;ethane;iodoethane;methane has a molecular weight of 1039.68 g/mol, XLogP of 10.39, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromopyridin-3-amine;2-(5-bromo-3-pyridinyl)-N,N-dimethylacetamide;1,1-diiodoethane;N,N-dimethylcarbamoyl chloride;ethane;iodoethane;methane is sourced from PubChem (CID 160553854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).