2-bromo-4-methylpyridine;5-bromo-2-(trifluoromethyl)pyrimidine;5-(4-methyl-2-pyridinyl)-2-(trifluoromethyl)pyrimidine;tributyl-(4-methyl-2-pyridinyl)stannane

C40H49Br2F6N7Sn — CID 162098460

IUPAC2-bromo-4-methylpyridine;5-bromo-2-(trifluoromethyl)pyrimidine;5-(4-methyl-2-pyridinyl)-2-(trifluoromethyl)pyrimidine;tributyl-(4-methyl-2-pyridinyl)stannane
SMILESCCCC[Sn](CCCC)(CCCC)c1cc(C)ccn1.Cc1ccnc(-c2cnc(C(F)(F)F)nc2)c1.Cc1ccnc(Br)c1.FC(F)(F)c1ncc(Br)cn1
InChIInChI=1S/C11H8F3N3.C6H6BrN.C6H6N.C5H2BrF3N2.3C4H9.Sn/c1-7-2-3-15-9(4-7)8-5-16-10(17-6-8)11(12,13)14;1-5-2-3-8-6(7)4-5;1-6-2-4-7-5-3-6;6-3-1-10-4(11-2-3)5(7,8)9;3*1-3-4-2;/h2-6H,1H3;2-4H,1H3;2-4H,1H3;1-2H;3*1,3-4H2,2H3;
InChIKeyZEOGLYZTKHCPNS-UHFFFAOYSA-N
MW1020.39 g/mol
LogP12.72
Rot. Bonds11

About 2-bromo-4-methylpyridine;5-bromo-2-(trifluoromethyl)pyrimidine;5-(4-methyl-2-pyridinyl)-2-(trifluoromethyl)pyrimidine;tributyl-(4-methyl-2-pyridinyl)stannane

2-bromo-4-methylpyridine;5-bromo-2-(trifluoromethyl)pyrimidine;5-(4-methyl-2-pyridinyl)-2-(trifluoromethyl)pyrimidine;tributyl-(4-methyl-2-pyridinyl)stannane (PubChem CID 162098460) has the molecular formula C40H49Br2F6N7Sn and a molecular weight of 1020.39 g/mol. Its IUPAC name is 2-bromo-4-methylpyridine;5-bromo-2-(trifluoromethyl)pyrimidine;5-(4-methyl-2-pyridinyl)-2-(trifluoromethyl)pyrimidine;tributyl-(4-methyl-2-pyridinyl)stannane.

Molecular Properties

Compound Name2-bromo-4-methylpyridine;5-bromo-2-(trifluoromethyl)pyrimidine;5-(4-methyl-2-pyridinyl)-2-(trifluoromethyl)pyrimidine;tributyl-(4-methyl-2-pyridinyl)stannane
PubChem CID162098460
Molecular FormulaC40H49Br2F6N7Sn
Molecular Weight1020.39 g/mol
Exact Mass1019.13
IUPAC Name2-bromo-4-methylpyridine;5-bromo-2-(trifluoromethyl)pyrimidine;5-(4-methyl-2-pyridinyl)-2-(trifluoromethyl)pyrimidine;tributyl-(4-methyl-2-pyridinyl)stannane
SMILESCCCC[Sn](CCCC)(CCCC)c1cc(C)ccn1.Cc1ccnc(-c2cnc(C(F)(F)F)nc2)c1.Cc1ccnc(Br)c1.FC(F)(F)c1ncc(Br)cn1
InChIInChI=1S/C11H8F3N3.C6H6BrN.C6H6N.C5H2BrF3N2.3C4H9.Sn/c1-7-2-3-15-9(4-7)8-5-16-10(17-6-8)11(12,13)14;1-5-2-3-8-6(7)4-5;1-6-2-4-7-5-3-6;6-3-1-10-4(11-2-3)5(7,8)9;3*1-3-4-2;/h2-6H,1H3;2-4H,1H3;2-4H,1H3;1-2H;3*1,3-4H2,2H3;
InChIKeyZEOGLYZTKHCPNS-UHFFFAOYSA-N
XLogP12.72
TPSA90.23 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001020.39
LogP ≤ 512.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-bromo-4-methylpyridine;5-bromo-2-(trifluoromethyl)pyrimidine;5-(4-methyl-2-pyridinyl)-2-(trifluoromethyl)pyrimidine;tributyl-(4-methyl-2-pyridinyl)stannane with MolForge

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Related Compounds

5-(3-Bromo-phenyl)-7-[6-(methyl-pyridin-3-ylmethyl-amino)-pyridin-3-yl]-pyrido[2,3-d]pyrimidin-4-ylamine
CID 44305631
3-(5-Bromo-3-(trifluoromethyl)pyridin-2-yl)-N-(5-(trifluoromethyl)pyridin-2-yl)pyrido[2,3-b]pyrazin-8-amine
CID 49863889
4-Pyridin-3-yl-2-pyridin-4-yl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine
CID 3431450
4-[4-Trifluoromethyl-6-(6-trifluoromethyl-pyridin-3-yl)-pyrimidin-2-yl]-[2,3']bipyridinyl-6'-ylamine
CID 86624638
2,7-Bis(di-2-pyridylfluoromethyl)-1,8-naphthyridine
CID 102367352
B3PyMPM
CID 58556437
4,6-Bis(3,5-di(pyridin-4-yl)phenyl)-2-methylpyrimidine
CID 67967165
4,6-Bis(3,5-di(pyridin-4-yl)phenyl)-2-phenylpyrimidine
CID 89441393
2-Phenyl-4,6-bis(3,5-dipyridylphenyl)pyrimidine
CID 101791711
4,6-Bis(3,5-di(pyridin-3-yl)phenyl)-2-(pyridin-3-yl)pyrimidine
CID 102345540
4-Phenyl-5-pyrimidin-4-yl-2-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine
CID 3306458
5-Pyrazin-2-yl-4-pyridin-4-yl-2-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine
CID 3326858

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-methylpyridine;5-bromo-2-(trifluoromethyl)pyrimidine;5-(4-methyl-2-pyridinyl)-2-(trifluoromethyl)pyrimidine;tributyl-(4-methyl-2-pyridinyl)stannane?
The IUPAC name of 2-bromo-4-methylpyridine;5-bromo-2-(trifluoromethyl)pyrimidine;5-(4-methyl-2-pyridinyl)-2-(trifluoromethyl)pyrimidine;tributyl-(4-methyl-2-pyridinyl)stannane (CID 162098460) is 2-bromo-4-methylpyridine;5-bromo-2-(trifluoromethyl)pyrimidine;5-(4-methyl-2-pyridinyl)-2-(trifluoromethyl)pyrimidine;tributyl-(4-methyl-2-pyridinyl)stannane.
What is the SMILES notation for 2-bromo-4-methylpyridine;5-bromo-2-(trifluoromethyl)pyrimidine;5-(4-methyl-2-pyridinyl)-2-(trifluoromethyl)pyrimidine;tributyl-(4-methyl-2-pyridinyl)stannane?
The canonical SMILES for 2-bromo-4-methylpyridine;5-bromo-2-(trifluoromethyl)pyrimidine;5-(4-methyl-2-pyridinyl)-2-(trifluoromethyl)pyrimidine;tributyl-(4-methyl-2-pyridinyl)stannane is CCCC[Sn](CCCC)(CCCC)c1cc(C)ccn1.Cc1ccnc(-c2cnc(C(F)(F)F)nc2)c1.Cc1ccnc(Br)c1.FC(F)(F)c1ncc(Br)cn1.
What is the InChIKey of 2-bromo-4-methylpyridine;5-bromo-2-(trifluoromethyl)pyrimidine;5-(4-methyl-2-pyridinyl)-2-(trifluoromethyl)pyrimidine;tributyl-(4-methyl-2-pyridinyl)stannane?
The InChIKey is ZEOGLYZTKHCPNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3N3.C6H6BrN.C6H6N.C5H2BrF3N2.3C4H9.Sn/c1-7-2-3-15-9(4-7)8-5-16-10(17-6-8)11(12,13)14;1-5-2-3-8-6(7)4-5;1-6-2-4-7-5-3-6;6-3-1-10-4(11-2-3)5(7,8)9;3*1-3-4-2;/h2-6H,1H3;2-4H,1H3;2-4H,1H3;1-2H;3*1,3-4H2,2H3;.
What are the key properties of 2-bromo-4-methylpyridine;5-bromo-2-(trifluoromethyl)pyrimidine;5-(4-methyl-2-pyridinyl)-2-(trifluoromethyl)pyrimidine;tributyl-(4-methyl-2-pyridinyl)stannane?
2-bromo-4-methylpyridine;5-bromo-2-(trifluoromethyl)pyrimidine;5-(4-methyl-2-pyridinyl)-2-(trifluoromethyl)pyrimidine;tributyl-(4-methyl-2-pyridinyl)stannane has a molecular weight of 1020.39 g/mol, XLogP of 12.72, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-methylpyridine;5-bromo-2-(trifluoromethyl)pyrimidine;5-(4-methyl-2-pyridinyl)-2-(trifluoromethyl)pyrimidine;tributyl-(4-methyl-2-pyridinyl)stannane is sourced from PubChem (CID 162098460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).