5-bromo-N-methylpyridin-2-amine;2,5-dibromopyridine;ethanol;methanamine;N-methyl-5-tributylstannylpyridin-2-amine;tributyl(chloro)stannane

C44H82Br3ClN6OSn2 — CID 158693998

IUPAC5-bromo-N-methylpyridin-2-amine;2,5-dibromopyridine;ethanol;methanamine;N-methyl-5-tributylstannylpyridin-2-amine;tributyl(chloro)stannane
SMILESBrc1ccc(Br)nc1.CCCC[Sn](CCCC)(CCCC)c1ccc(NC)nc1.CCCC[Sn](Cl)(CCCC)CCCC.CCO.CN.CNc1ccc(Br)cn1
InChIInChI=1S/C6H7BrN2.C6H7N2.C5H3Br2N.6C4H9.C2H6O.CH5N.ClH.2Sn/c1-8-6-3-2-5(7)4-9-6;1-7-6-4-2-3-5-8-6;6-4-1-2-5(7)8-3-4;6*1-3-4-2;1-2-3;1-2;;;/h2-4H,1H3,(H,8,9);2,4-5H,1H3,(H,7,8);1-3H;6*1,3-4H2,2H3;3H,2H2,1H3;2H2,1H3;1H;;/q;;;;;;;;;;;;;+1/p-1
InChIKeyIGRZSJUOTPGZQH-UHFFFAOYSA-M
MW1223.77 g/mol
LogP14.82
Rot. Bonds21

About 5-bromo-N-methylpyridin-2-amine;2,5-dibromopyridine;ethanol;methanamine;N-methyl-5-tributylstannylpyridin-2-amine;tributyl(chloro)stannane

5-bromo-N-methylpyridin-2-amine;2,5-dibromopyridine;ethanol;methanamine;N-methyl-5-tributylstannylpyridin-2-amine;tributyl(chloro)stannane (PubChem CID 158693998) has the molecular formula C44H82Br3ClN6OSn2 and a molecular weight of 1223.77 g/mol. Its IUPAC name is 5-bromo-N-methylpyridin-2-amine;2,5-dibromopyridine;ethanol;methanamine;N-methyl-5-tributylstannylpyridin-2-amine;tributyl(chloro)stannane.

Molecular Properties

Compound Name5-bromo-N-methylpyridin-2-amine;2,5-dibromopyridine;ethanol;methanamine;N-methyl-5-tributylstannylpyridin-2-amine;tributyl(chloro)stannane
PubChem CID158693998
Molecular FormulaC44H82Br3ClN6OSn2
Molecular Weight1223.77 g/mol
Exact Mass1222.18
IUPAC Name5-bromo-N-methylpyridin-2-amine;2,5-dibromopyridine;ethanol;methanamine;N-methyl-5-tributylstannylpyridin-2-amine;tributyl(chloro)stannane
SMILESBrc1ccc(Br)nc1.CCCC[Sn](CCCC)(CCCC)c1ccc(NC)nc1.CCCC[Sn](Cl)(CCCC)CCCC.CCO.CN.CNc1ccc(Br)cn1
InChIInChI=1S/C6H7BrN2.C6H7N2.C5H3Br2N.6C4H9.C2H6O.CH5N.ClH.2Sn/c1-8-6-3-2-5(7)4-9-6;1-7-6-4-2-3-5-8-6;6-4-1-2-5(7)8-3-4;6*1-3-4-2;1-2-3;1-2;;;/h2-4H,1H3,(H,8,9);2,4-5H,1H3,(H,7,8);1-3H;6*1,3-4H2,2H3;3H,2H2,1H3;2H2,1H3;1H;;/q;;;;;;;;;;;;;+1/p-1
InChIKeyIGRZSJUOTPGZQH-UHFFFAOYSA-M
XLogP14.82
TPSA108.98 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds21
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001223.77
LogP ≤ 514.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N,N'-bis(5-bromopyridin-2-yl)methanediamine
CID 121220517
N,N'-bis(5-bromo-2-pyridinyl)methanimidamide
CID 4711711
3-[(5-Bromo-2-pyridinyl)amino]-1-propanol
CID 29053203
Bis(1-(3-bromo-2-pyridinyl)piperazine);hydrate;dihydrochloride
CID 70482663
3,5-dibromo-6-methyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]pyridin-2-amine
CID 77108328
2-[(5-Bromo-2-pyridinyl)amino]ethanol;ethane
CID 91577446
2-Aminoethanol;2-[(5-bromo-2-pyridinyl)amino]ethanol
CID 140220645
(2R)-4-(5-bromo-2-pyridinyl)-2-methylmorpholine;2,5-dibromopyridine;(2R)-2-methylmorpholine
CID 157142488
(2S)-4-(5-bromo-2-pyridinyl)-2-methylmorpholine;2,5-dibromopyridine;(2S)-2-methylmorpholine
CID 157142489
5-bromo-N-methyl-N-prop-2-enylpyridin-2-amine;5-bromo-N-methylpyridin-2-amine;3-bromoprop-1-ene;molecular iodine;hydroiodide
CID 157637068
5-Bromo-2-piperidin-1-ylpyridine;2,5-dibromopyridine;piperidine
CID 157810586
(3R)-4-(5-bromo-2-pyridinyl)-3-methylmorpholine;2,5-dibromopyridine;(3R)-3-methylmorpholine
CID 158303952

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-methylpyridin-2-amine;2,5-dibromopyridine;ethanol;methanamine;N-methyl-5-tributylstannylpyridin-2-amine;tributyl(chloro)stannane?
The IUPAC name of 5-bromo-N-methylpyridin-2-amine;2,5-dibromopyridine;ethanol;methanamine;N-methyl-5-tributylstannylpyridin-2-amine;tributyl(chloro)stannane (CID 158693998) is 5-bromo-N-methylpyridin-2-amine;2,5-dibromopyridine;ethanol;methanamine;N-methyl-5-tributylstannylpyridin-2-amine;tributyl(chloro)stannane.
What is the SMILES notation for 5-bromo-N-methylpyridin-2-amine;2,5-dibromopyridine;ethanol;methanamine;N-methyl-5-tributylstannylpyridin-2-amine;tributyl(chloro)stannane?
The canonical SMILES for 5-bromo-N-methylpyridin-2-amine;2,5-dibromopyridine;ethanol;methanamine;N-methyl-5-tributylstannylpyridin-2-amine;tributyl(chloro)stannane is Brc1ccc(Br)nc1.CCCC[Sn](CCCC)(CCCC)c1ccc(NC)nc1.CCCC[Sn](Cl)(CCCC)CCCC.CCO.CN.CNc1ccc(Br)cn1.
What is the InChIKey of 5-bromo-N-methylpyridin-2-amine;2,5-dibromopyridine;ethanol;methanamine;N-methyl-5-tributylstannylpyridin-2-amine;tributyl(chloro)stannane?
The InChIKey is IGRZSJUOTPGZQH-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H7BrN2.C6H7N2.C5H3Br2N.6C4H9.C2H6O.CH5N.ClH.2Sn/c1-8-6-3-2-5(7)4-9-6;1-7-6-4-2-3-5-8-6;6-4-1-2-5(7)8-3-4;6*1-3-4-2;1-2-3;1-2;;;/h2-4H,1H3,(H,8,9);2,4-5H,1H3,(H,7,8);1-3H;6*1,3-4H2,2H3;3H,2H2,1H3;2H2,1H3;1H;;/q;;;;;;;;;;;;;+1/p-1.
What are the key properties of 5-bromo-N-methylpyridin-2-amine;2,5-dibromopyridine;ethanol;methanamine;N-methyl-5-tributylstannylpyridin-2-amine;tributyl(chloro)stannane?
5-bromo-N-methylpyridin-2-amine;2,5-dibromopyridine;ethanol;methanamine;N-methyl-5-tributylstannylpyridin-2-amine;tributyl(chloro)stannane has a molecular weight of 1223.77 g/mol, XLogP of 14.82, 21 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-methylpyridin-2-amine;2,5-dibromopyridine;ethanol;methanamine;N-methyl-5-tributylstannylpyridin-2-amine;tributyl(chloro)stannane is sourced from PubChem (CID 158693998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).