bromomethane;2-bromopyridine;4-(5-bromo-2-pyridinyl)benzaldehyde;2,5-dibromopyridine;4-(5-dimethylphosphoryl-2-pyridinyl)benzaldehyde;ethane;ethene;bis((4-formylphenyl)boronic acid);prop-1-ene;pentakis(4-pyridin-2-ylbenzaldehyde)

C123H122B2Br6N9O14P — CID 161249787

IUPACbromomethane;2-bromopyridine;4-(5-bromo-2-pyridinyl)benzaldehyde;2,5-dibromopyridine;4-(5-dimethylphosphoryl-2-pyridinyl)benzaldehyde;ethane;ethene;bis((4-formylphenyl)boronic acid);prop-1-ene;pentakis(4-pyridin-2-ylbenzaldehyde)
SMILESBrc1ccc(Br)nc1.Brc1ccccn1.C=C.C=CC.CBr.CBr.CC.CC.CC.CP(C)(=O)c1ccc(-c2ccc(C=O)cc2)nc1.O=Cc1ccc(-c2ccc(Br)cn2)cc1.O=Cc1ccc(-c2ccccn2)cc1.O=Cc1ccc(-c2ccccn2)cc1.O=Cc1ccc(-c2ccccn2)cc1.O=Cc1ccc(-c2ccccn2)cc1.O=Cc1ccc(-c2ccccn2)cc1.O=Cc1ccc(B(O)O)cc1.O=Cc1ccc(B(O)O)cc1
InChIInChI=1S/C14H14NO2P.C12H8BrNO.5C12H9NO.2C7H7BO3.C5H3Br2N.C5H4BrN.C3H6.3C2H6.C2H4.2CH3Br/c1-18(2,17)13-7-8-14(15-9-13)12-5-3-11(10-16)4-6-12;13-11-5-6-12(14-7-11)10-3-1-9(8-15)2-4-10;5*14-9-10-4-6-11(7-5-10)12-3-1-2-8-13-12;2*9-5-6-1-3-7(4-2-6)8(10)11;6-4-1-2-5(7)8-3-4;6-5-3-1-2-4-7-5;1-3-2;6*1-2/h3-10H,1-2H3;1-8H;5*1-9H;2*1-5,10-11H;1-3H;1-4H;3H,1H2,2H3;3*1-2H3;1-2H2;2*1H3
InChIKeyVBCRXCRVDQWDFP-UHFFFAOYSA-N
MW2482.40 g/mol
LogP28.84
Rot. Bonds19

About bromomethane;2-bromopyridine;4-(5-bromo-2-pyridinyl)benzaldehyde;2,5-dibromopyridine;4-(5-dimethylphosphoryl-2-pyridinyl)benzaldehyde;ethane;ethene;bis((4-formylphenyl)boronic acid);prop-1-ene;pentakis(4-pyridin-2-ylbenzaldehyde)

bromomethane;2-bromopyridine;4-(5-bromo-2-pyridinyl)benzaldehyde;2,5-dibromopyridine;4-(5-dimethylphosphoryl-2-pyridinyl)benzaldehyde;ethane;ethene;bis((4-formylphenyl)boronic acid);prop-1-ene;pentakis(4-pyridin-2-ylbenzaldehyde) (PubChem CID 161249787) has the molecular formula C123H122B2Br6N9O14P and a molecular weight of 2482.40 g/mol. Its IUPAC name is bromomethane;2-bromopyridine;4-(5-bromo-2-pyridinyl)benzaldehyde;2,5-dibromopyridine;4-(5-dimethylphosphoryl-2-pyridinyl)benzaldehyde;ethane;ethene;bis((4-formylphenyl)boronic acid);prop-1-ene;pentakis(4-pyridin-2-ylbenzaldehyde).

Molecular Properties

Compound Namebromomethane;2-bromopyridine;4-(5-bromo-2-pyridinyl)benzaldehyde;2,5-dibromopyridine;4-(5-dimethylphosphoryl-2-pyridinyl)benzaldehyde;ethane;ethene;bis((4-formylphenyl)boronic acid);prop-1-ene;pentakis(4-pyridin-2-ylbenzaldehyde)
PubChem CID161249787
Molecular FormulaC123H122B2Br6N9O14P
Molecular Weight2482.40 g/mol
Exact Mass2475.41
IUPAC Namebromomethane;2-bromopyridine;4-(5-bromo-2-pyridinyl)benzaldehyde;2,5-dibromopyridine;4-(5-dimethylphosphoryl-2-pyridinyl)benzaldehyde;ethane;ethene;bis((4-formylphenyl)boronic acid);prop-1-ene;pentakis(4-pyridin-2-ylbenzaldehyde)
SMILESBrc1ccc(Br)nc1.Brc1ccccn1.C=C.C=CC.CBr.CBr.CC.CC.CC.CP(C)(=O)c1ccc(-c2ccc(C=O)cc2)nc1.O=Cc1ccc(-c2ccc(Br)cn2)cc1.O=Cc1ccc(-c2ccccn2)cc1.O=Cc1ccc(-c2ccccn2)cc1.O=Cc1ccc(-c2ccccn2)cc1.O=Cc1ccc(-c2ccccn2)cc1.O=Cc1ccc(-c2ccccn2)cc1.O=Cc1ccc(B(O)O)cc1.O=Cc1ccc(B(O)O)cc1
InChIInChI=1S/C14H14NO2P.C12H8BrNO.5C12H9NO.2C7H7BO3.C5H3Br2N.C5H4BrN.C3H6.3C2H6.C2H4.2CH3Br/c1-18(2,17)13-7-8-14(15-9-13)12-5-3-11(10-16)4-6-12;13-11-5-6-12(14-7-11)10-3-1-9(8-15)2-4-10;5*14-9-10-4-6-11(7-5-10)12-3-1-2-8-13-12;2*9-5-6-1-3-7(4-2-6)8(10)11;6-4-1-2-5(7)8-3-4;6-5-3-1-2-4-7-5;1-3-2;6*1-2/h3-10H,1-2H3;1-8H;5*1-9H;2*1-5,10-11H;1-3H;1-4H;3H,1H2,2H3;3*1-2H3;1-2H2;2*1H3
InChIKeyVBCRXCRVDQWDFP-UHFFFAOYSA-N
XLogP28.84
TPSA367.63 Ų
H-Bond Donors4
H-Bond Acceptors23
Rotatable Bonds19
Heavy Atoms155
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002482.40
LogP ≤ 528.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze bromomethane;2-bromopyridine;4-(5-bromo-2-pyridinyl)benzaldehyde;2,5-dibromopyridine;4-(5-dimethylphosphoryl-2-pyridinyl)benzaldehyde;ethane;ethene;bis((4-formylphenyl)boronic acid);prop-1-ene;pentakis(4-pyridin-2-ylbenzaldehyde) with MolForge

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Related Compounds

(4-Benzoylphenyl)boronic acid;5-bromo-2-iodopyridine;5-bromo-2-phenylpyridine;4-hydroxypent-3-en-2-one;phenylboronic acid;phenyl-[4-(6-phenyl-3-pyridinyl)phenyl]methanone;phenyl-[4-(6-phenyl-3-pyridinyl)phenyl]methanone;platinum
CID 157200820
Bromo-[8-[dimethyl(trimethylsilyloxy)silyl]octyl]-triphenyl-lambda5-phosphane;6-bromopyridine-3-carbaldehyde;(4-cyanophenyl)boronic acid;4-[5-[9-[dimethyl(trimethylsilyloxy)silyl]nonyl]-2-pyridinyl]benzonitrile;bis(4-(5-formyl-2-pyridinyl)benzonitrile)
CID 157464061
4-Bromobenzaldehyde;bis(iridium(3+));methane;tris(4-(3-pyridin-2-ylbenzene-4-id-1-yl)benzaldehyde);tris(2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzene-6-id-1-yl]pyridine)
CID 157654810
Sodium;benzaldehyde;2-bromopyridine;hydride;methylboronic acid;bis(2-methylpyridine);styrene
CID 157674572
CID 157677535
CID 157677535
Acetaldehyde;2-bromopyridine;2-bromopyridine-4-carbaldehyde;ethane;bis([4-(hydroxymethyl)phenyl]boronic acid);4-pyridin-2-ylbenzaldehyde;bis((4-pyridin-2-ylphenyl)methanol)
CID 157734109
4-Bromobenzaldehyde;bis(iridium(3+));tris(4-(3-pyridin-2-ylbenzene-4-id-1-yl)benzaldehyde);tris(2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzene-6-id-1-yl]pyridine)
CID 157900651
Bromo-[8-[dimethyl(trimethylsilyloxy)silyl]octyl]-triphenyl-lambda5-phosphane;5-bromopyridine-2-carbaldehyde;(4-cyanophenyl)boronic acid;4-[6-[9-[dimethyl(trimethylsilyloxy)silyl]nonyl]-3-pyridinyl]benzonitrile;bis(4-(6-formyl-3-pyridinyl)benzonitrile)
CID 158246317
Sodium;benzaldehyde;bromo-methyl-triphenyl-lambda5-phosphane;2-bromopyridine;hydride;methane;methylboronic acid;tris(2-methylpyridine);styrene
CID 158360251
Bromo-[8-[butyl(dimethyl)silyl]octyl]-triphenyl-lambda5-phosphane;6-bromopyridine-3-carbaldehyde;4-[5-[9-[butyl(dimethyl)silyl]nonyl]-2-pyridinyl]benzonitrile;(4-cyanophenyl)boronic acid;bis(4-(5-formyl-2-pyridinyl)benzonitrile)
CID 158371497
Bis(2-(3-bromobenzene-6-id-1-yl)pyridine);bromo-methyl-triphenyl-lambda5-phosphane;(3-formylphenyl)boronic acid;tris(iridium);tris(2-phenylpyridine);tetrakis(3-(3-pyridin-2-ylbenzene-4-id-1-yl)benzaldehyde)
CID 158619167
Bis(bromo-[8-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]octyl]-triphenyl-lambda5-phosphane);6-bromopyridine-3-carbaldehyde;4-[5-[9-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]nonyl]-2-pyridinyl]benzonitrile;(4-cyanophenyl)boronic acid;bis(4-(5-formyl-2-pyridinyl)benzonitrile)
CID 158625249

Frequently Asked Questions

What is the IUPAC name of bromomethane;2-bromopyridine;4-(5-bromo-2-pyridinyl)benzaldehyde;2,5-dibromopyridine;4-(5-dimethylphosphoryl-2-pyridinyl)benzaldehyde;ethane;ethene;bis((4-formylphenyl)boronic acid);prop-1-ene;pentakis(4-pyridin-2-ylbenzaldehyde)?
The IUPAC name of bromomethane;2-bromopyridine;4-(5-bromo-2-pyridinyl)benzaldehyde;2,5-dibromopyridine;4-(5-dimethylphosphoryl-2-pyridinyl)benzaldehyde;ethane;ethene;bis((4-formylphenyl)boronic acid);prop-1-ene;pentakis(4-pyridin-2-ylbenzaldehyde) (CID 161249787) is bromomethane;2-bromopyridine;4-(5-bromo-2-pyridinyl)benzaldehyde;2,5-dibromopyridine;4-(5-dimethylphosphoryl-2-pyridinyl)benzaldehyde;ethane;ethene;bis((4-formylphenyl)boronic acid);prop-1-ene;pentakis(4-pyridin-2-ylbenzaldehyde).
What is the SMILES notation for bromomethane;2-bromopyridine;4-(5-bromo-2-pyridinyl)benzaldehyde;2,5-dibromopyridine;4-(5-dimethylphosphoryl-2-pyridinyl)benzaldehyde;ethane;ethene;bis((4-formylphenyl)boronic acid);prop-1-ene;pentakis(4-pyridin-2-ylbenzaldehyde)?
The canonical SMILES for bromomethane;2-bromopyridine;4-(5-bromo-2-pyridinyl)benzaldehyde;2,5-dibromopyridine;4-(5-dimethylphosphoryl-2-pyridinyl)benzaldehyde;ethane;ethene;bis((4-formylphenyl)boronic acid);prop-1-ene;pentakis(4-pyridin-2-ylbenzaldehyde) is Brc1ccc(Br)nc1.Brc1ccccn1.C=C.C=CC.CBr.CBr.CC.CC.CC.CP(C)(=O)c1ccc(-c2ccc(C=O)cc2)nc1.O=Cc1ccc(-c2ccc(Br)cn2)cc1.O=Cc1ccc(-c2ccccn2)cc1.O=Cc1ccc(-c2ccccn2)cc1.O=Cc1ccc(-c2ccccn2)cc1.O=Cc1ccc(-c2ccccn2)cc1.O=Cc1ccc(-c2ccccn2)cc1.O=Cc1ccc(B(O)O)cc1.O=Cc1ccc(B(O)O)cc1.
What is the InChIKey of bromomethane;2-bromopyridine;4-(5-bromo-2-pyridinyl)benzaldehyde;2,5-dibromopyridine;4-(5-dimethylphosphoryl-2-pyridinyl)benzaldehyde;ethane;ethene;bis((4-formylphenyl)boronic acid);prop-1-ene;pentakis(4-pyridin-2-ylbenzaldehyde)?
The InChIKey is VBCRXCRVDQWDFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14NO2P.C12H8BrNO.5C12H9NO.2C7H7BO3.C5H3Br2N.C5H4BrN.C3H6.3C2H6.C2H4.2CH3Br/c1-18(2,17)13-7-8-14(15-9-13)12-5-3-11(10-16)4-6-12;13-11-5-6-12(14-7-11)10-3-1-9(8-15)2-4-10;5*14-9-10-4-6-11(7-5-10)12-3-1-2-8-13-12;2*9-5-6-1-3-7(4-2-6)8(10)11;6-4-1-2-5(7)8-3-4;6-5-3-1-2-4-7-5;1-3-2;6*1-2/h3-10H,1-2H3;1-8H;5*1-9H;2*1-5,10-11H;1-3H;1-4H;3H,1H2,2H3;3*1-2H3;1-2H2;2*1H3.
What are the key properties of bromomethane;2-bromopyridine;4-(5-bromo-2-pyridinyl)benzaldehyde;2,5-dibromopyridine;4-(5-dimethylphosphoryl-2-pyridinyl)benzaldehyde;ethane;ethene;bis((4-formylphenyl)boronic acid);prop-1-ene;pentakis(4-pyridin-2-ylbenzaldehyde)?
bromomethane;2-bromopyridine;4-(5-bromo-2-pyridinyl)benzaldehyde;2,5-dibromopyridine;4-(5-dimethylphosphoryl-2-pyridinyl)benzaldehyde;ethane;ethene;bis((4-formylphenyl)boronic acid);prop-1-ene;pentakis(4-pyridin-2-ylbenzaldehyde) has a molecular weight of 2482.40 g/mol, XLogP of 28.84, 19 rotatable bonds, 4 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for bromomethane;2-bromopyridine;4-(5-bromo-2-pyridinyl)benzaldehyde;2,5-dibromopyridine;4-(5-dimethylphosphoryl-2-pyridinyl)benzaldehyde;ethane;ethene;bis((4-formylphenyl)boronic acid);prop-1-ene;pentakis(4-pyridin-2-ylbenzaldehyde) is sourced from PubChem (CID 161249787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).