2-bromo-5-[5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]pyridine;5-[5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]-2-[6-(trifluoromethyl)-3-pyridinyl]pyridine;5-methyl-2-(trifluoromethyl)pyrimidine;palladium

C42H30BrF10N7Pd — CID 158329623

IUPAC2-bromo-5-[5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]pyridine;5-[5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]-2-[6-(trifluoromethyl)-3-pyridinyl]pyridine;5-methyl-2-(trifluoromethyl)pyrimidine;palladium
SMILESCc1cnc(C(F)(F)F)nc1.Fc1cccc(F)c1C1=NC(c2ccc(-c3ccc(C(F)(F)F)nc3)nc2)CC1.Fc1cccc(F)c1C1=NC(c2ccc(Br)nc2)CC1.[Pd]
InChIInChI=1S/C21H14F5N3.C15H11BrF2N2.C6H5F3N2.Pd/c22-14-2-1-3-15(23)20(14)18-8-7-17(29-18)13-4-6-16(27-10-13)12-5-9-19(28-11-12)21(24,25)26;16-14-7-4-9(8-19-14)12-5-6-13(20-12)15-10(17)2-1-3-11(15)18;1-4-2-10-5(11-3-4)6(7,8)9;/h1-6,9-11,17H,7-8H2;1-4,7-8,12H,5-6H2;2-3H,1H3;
InChIKeyGPVQAFPERMDZHO-UHFFFAOYSA-N
MW1009.05 g/mol
LogP12.01
Rot. Bonds5

About 2-bromo-5-[5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]pyridine;5-[5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]-2-[6-(trifluoromethyl)-3-pyridinyl]pyridine;5-methyl-2-(trifluoromethyl)pyrimidine;palladium

2-bromo-5-[5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]pyridine;5-[5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]-2-[6-(trifluoromethyl)-3-pyridinyl]pyridine;5-methyl-2-(trifluoromethyl)pyrimidine;palladium (PubChem CID 158329623) has the molecular formula C42H30BrF10N7Pd and a molecular weight of 1009.05 g/mol. Its IUPAC name is 2-bromo-5-[5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]pyridine;5-[5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]-2-[6-(trifluoromethyl)-3-pyridinyl]pyridine;5-methyl-2-(trifluoromethyl)pyrimidine;palladium.

Molecular Properties

Compound Name2-bromo-5-[5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]pyridine;5-[5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]-2-[6-(trifluoromethyl)-3-pyridinyl]pyridine;5-methyl-2-(trifluoromethyl)pyrimidine;palladium
PubChem CID158329623
Molecular FormulaC42H30BrF10N7Pd
Molecular Weight1009.05 g/mol
Exact Mass1007.06
IUPAC Name2-bromo-5-[5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]pyridine;5-[5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]-2-[6-(trifluoromethyl)-3-pyridinyl]pyridine;5-methyl-2-(trifluoromethyl)pyrimidine;palladium
SMILESCc1cnc(C(F)(F)F)nc1.Fc1cccc(F)c1C1=NC(c2ccc(-c3ccc(C(F)(F)F)nc3)nc2)CC1.Fc1cccc(F)c1C1=NC(c2ccc(Br)nc2)CC1.[Pd]
InChIInChI=1S/C21H14F5N3.C15H11BrF2N2.C6H5F3N2.Pd/c22-14-2-1-3-15(23)20(14)18-8-7-17(29-18)13-4-6-16(27-10-13)12-5-9-19(28-11-12)21(24,25)26;16-14-7-4-9(8-19-14)12-5-6-13(20-12)15-10(17)2-1-3-11(15)18;1-4-2-10-5(11-3-4)6(7,8)9;/h1-6,9-11,17H,7-8H2;1-4,7-8,12H,5-6H2;2-3H,1H3;
InChIKeyGPVQAFPERMDZHO-UHFFFAOYSA-N
XLogP12.01
TPSA89.17 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001009.05
LogP ≤ 512.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-bromo-5-[5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]pyridine;5-[5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]-2-[6-(trifluoromethyl)-3-pyridinyl]pyridine;5-methyl-2-(trifluoromethyl)pyrimidine;palladium 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
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4-N-[2-(4-fluorophenyl)pyridin-4-yl]-6-[6-(trifluoromethyl)pyridin-2-yl]-2-N-[(2R)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine
CID 117799215
4-N-(2-phenylpyridin-4-yl)-6-[6-(trifluoromethyl)pyridin-2-yl]-2-N-[(2R)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine
CID 117799238
4-N-(2-phenylpyridin-4-yl)-6-[6-(trifluoromethyl)pyridin-2-yl]-2-N-(1,1,1-trifluoropropan-2-yl)-1,3,5-triazine-2,4-diamine
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4-(4-Fluorophenyl)-2-pyridin-3-yl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine
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4,6-Bis(3,5-di(pyridin-4-yl)phenyl)-2-methylpyrimidine
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Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-[5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]pyridine;5-[5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]-2-[6-(trifluoromethyl)-3-pyridinyl]pyridine;5-methyl-2-(trifluoromethyl)pyrimidine;palladium?
The IUPAC name of 2-bromo-5-[5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]pyridine;5-[5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]-2-[6-(trifluoromethyl)-3-pyridinyl]pyridine;5-methyl-2-(trifluoromethyl)pyrimidine;palladium (CID 158329623) is 2-bromo-5-[5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]pyridine;5-[5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]-2-[6-(trifluoromethyl)-3-pyridinyl]pyridine;5-methyl-2-(trifluoromethyl)pyrimidine;palladium.
What is the SMILES notation for 2-bromo-5-[5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]pyridine;5-[5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]-2-[6-(trifluoromethyl)-3-pyridinyl]pyridine;5-methyl-2-(trifluoromethyl)pyrimidine;palladium?
The canonical SMILES for 2-bromo-5-[5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]pyridine;5-[5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]-2-[6-(trifluoromethyl)-3-pyridinyl]pyridine;5-methyl-2-(trifluoromethyl)pyrimidine;palladium is Cc1cnc(C(F)(F)F)nc1.Fc1cccc(F)c1C1=NC(c2ccc(-c3ccc(C(F)(F)F)nc3)nc2)CC1.Fc1cccc(F)c1C1=NC(c2ccc(Br)nc2)CC1.[Pd].
What is the InChIKey of 2-bromo-5-[5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]pyridine;5-[5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]-2-[6-(trifluoromethyl)-3-pyridinyl]pyridine;5-methyl-2-(trifluoromethyl)pyrimidine;palladium?
The InChIKey is GPVQAFPERMDZHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F5N3.C15H11BrF2N2.C6H5F3N2.Pd/c22-14-2-1-3-15(23)20(14)18-8-7-17(29-18)13-4-6-16(27-10-13)12-5-9-19(28-11-12)21(24,25)26;16-14-7-4-9(8-19-14)12-5-6-13(20-12)15-10(17)2-1-3-11(15)18;1-4-2-10-5(11-3-4)6(7,8)9;/h1-6,9-11,17H,7-8H2;1-4,7-8,12H,5-6H2;2-3H,1H3;.
What are the key properties of 2-bromo-5-[5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]pyridine;5-[5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]-2-[6-(trifluoromethyl)-3-pyridinyl]pyridine;5-methyl-2-(trifluoromethyl)pyrimidine;palladium?
2-bromo-5-[5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]pyridine;5-[5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]-2-[6-(trifluoromethyl)-3-pyridinyl]pyridine;5-methyl-2-(trifluoromethyl)pyrimidine;palladium has a molecular weight of 1009.05 g/mol, XLogP of 12.01, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-[5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]pyridine;5-[5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]-2-[6-(trifluoromethyl)-3-pyridinyl]pyridine;5-methyl-2-(trifluoromethyl)pyrimidine;palladium is sourced from PubChem (CID 158329623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).