4-bromo-2-fluoropyridine;6-chloropyrido[3,2-d]pyrimidin-4-amine;bis(6-(2-fluoro-4-pyridinyl)pyrido[3,2-d]pyrimidin-4-amine);2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;methane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

C60H67B3BrClF4N16O6 — CID 159260667

IUPAC4-bromo-2-fluoropyridine;6-chloropyrido[3,2-d]pyrimidin-4-amine;bis(6-(2-fluoro-4-pyridinyl)pyrido[3,2-d]pyrimidin-4-amine);2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;methane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
SMILESC.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(c2ccnc(F)c2)OC1(C)C.Fc1cc(Br)ccn1.Nc1ncnc2ccc(-c3ccnc(F)c3)nc12.Nc1ncnc2ccc(-c3ccnc(F)c3)nc12.Nc1ncnc2ccc(Cl)nc12
InChIInChI=1S/C12H24B2O4.2C12H8FN5.C11H15BFNO2.C7H5ClN4.C5H3BrFN.CH4/c1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;2*13-10-5-7(3-4-15-10)8-1-2-9-11(18-8)12(14)17-6-16-9;1-10(2)11(3,4)16-12(15-10)8-5-6-14-9(13)7-8;8-5-2-1-4-6(12-5)7(9)11-3-10-4;6-4-1-2-8-5(7)3-4;/h1-8H3;2*1-6H,(H2,14,16,17);5-7H,1-4H3;1-3H,(H2,9,10,11);1-3H;1H4
InChIKeyKWLSFXFIDVRXAN-UHFFFAOYSA-N
MW1332.09 g/mol
LogP11.27
Rot. Bonds4

About 4-bromo-2-fluoropyridine;6-chloropyrido[3,2-d]pyrimidin-4-amine;bis(6-(2-fluoro-4-pyridinyl)pyrido[3,2-d]pyrimidin-4-amine);2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;methane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

4-bromo-2-fluoropyridine;6-chloropyrido[3,2-d]pyrimidin-4-amine;bis(6-(2-fluoro-4-pyridinyl)pyrido[3,2-d]pyrimidin-4-amine);2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;methane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (PubChem CID 159260667) has the molecular formula C60H67B3BrClF4N16O6 and a molecular weight of 1332.09 g/mol. Its IUPAC name is 4-bromo-2-fluoropyridine;6-chloropyrido[3,2-d]pyrimidin-4-amine;bis(6-(2-fluoro-4-pyridinyl)pyrido[3,2-d]pyrimidin-4-amine);2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;methane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane.

Molecular Properties

Compound Name4-bromo-2-fluoropyridine;6-chloropyrido[3,2-d]pyrimidin-4-amine;bis(6-(2-fluoro-4-pyridinyl)pyrido[3,2-d]pyrimidin-4-amine);2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;methane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
PubChem CID159260667
Molecular FormulaC60H67B3BrClF4N16O6
Molecular Weight1332.09 g/mol
Exact Mass1330.45
IUPAC Name4-bromo-2-fluoropyridine;6-chloropyrido[3,2-d]pyrimidin-4-amine;bis(6-(2-fluoro-4-pyridinyl)pyrido[3,2-d]pyrimidin-4-amine);2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;methane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
SMILESC.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(c2ccnc(F)c2)OC1(C)C.Fc1cc(Br)ccn1.Nc1ncnc2ccc(-c3ccnc(F)c3)nc12.Nc1ncnc2ccc(-c3ccnc(F)c3)nc12.Nc1ncnc2ccc(Cl)nc12
InChIInChI=1S/C12H24B2O4.2C12H8FN5.C11H15BFNO2.C7H5ClN4.C5H3BrFN.CH4/c1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;2*13-10-5-7(3-4-15-10)8-1-2-9-11(18-8)12(14)17-6-16-9;1-10(2)11(3,4)16-12(15-10)8-5-6-14-9(13)7-8;8-5-2-1-4-6(12-5)7(9)11-3-10-4;6-4-1-2-8-5(7)3-4;/h1-8H3;2*1-6H,(H2,14,16,17);5-7H,1-4H3;1-3H,(H2,9,10,11);1-3H;1H4
InChIKeyKWLSFXFIDVRXAN-UHFFFAOYSA-N
XLogP11.27
TPSA301.01 Ų
H-Bond Donors3
H-Bond Acceptors22
Rotatable Bonds4
Heavy Atoms91
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001332.09
LogP ≤ 511.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

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

Analyze 4-bromo-2-fluoropyridine;6-chloropyrido[3,2-d]pyrimidin-4-amine;bis(6-(2-fluoro-4-pyridinyl)pyrido[3,2-d]pyrimidin-4-amine);2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;methane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-Bromo-2-methyl-3-(trifluoromethyl)pyridine;6-chloropyridin-2-amine;methane;2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)pyridine;6-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]pyridin-2-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
CID 157258892
5-Bromo-2-methyl-3-(trifluoromethyl)pyridine;6-chloropyridin-2-amine;2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)pyridine;6-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]pyridin-2-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
CID 158266608
(9S)-5-chloro-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)pyridine;(9S)-5-[2-(trifluoromethyl)-4-pyridinyl]-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene
CID 158406611
5-Bromo-4-(trifluoromethyl)pyridin-2-amine;4-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)morpholine;5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
CID 160134893
4-Chloro-2-cyclopropyl-6-methylpyridin-3-amine;2-cyclopropyl-6-methyl-4-[2-(trifluoromethyl)pyrimidin-5-yl]pyridin-3-amine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)pyrimidine
CID 160423039
(9S)-5-chloro-N-pyrazin-2-yl-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide;(9S)-5-(5-fluoro-2-methyl-4-pyridinyl)-N-pyrazin-2-yl-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide;5-fluoro-2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
CID 158448396
6-chloropyrido[3,2-d]pyrimidin-4-amine;6-[3-fluoro-5-(4-methyl-1H-pyrazol-5-yl)phenyl]pyrido[3,2-d]pyrimidin-4-amine;5-[3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4-methyl-1H-pyrazole
CID 158493590
4-bromo-2-fluoroaniline;6-chloro-1-methylimidazo[4,5-c]pyridine;4-(cyclohexen-1-yl)-2-fluoroaniline;N-[4-(cyclohexen-1-yl)-2-fluorophenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine;N-[4-(cyclohexen-1-yl)-2-fluorophenyl]-1-methylimidazo[4,5-c]pyridin-6-amine;2-(cyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;N-(4-cyclohexyl-2-fluorophenyl)-N,1-dimethylimidazo[4,5-c]pyridin-6-amine
CID 158590430
5-Bromo-2-fluoropyridin-3-amine;11-chloro-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;2-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-amine;2-fluoro-5-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)pyridin-3-amine
CID 159239361
3-Bromo-5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]pyridin-2-amine;5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-(1-methylpyrazol-4-yl)pyridin-2-amine;deuterio(fluoro)methane;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
CID 159319054
3-bromo-5-fluoroaniline;3-bromo-5-fluoro-N-(2-pyrrolidin-1-ylethyl)aniline;1-(2-chloroethyl)pyrrolidine;6-chloropyrido[3,2-d]pyrimidin-4-amine;bis(6-[3-fluoro-5-(2-pyrrolidin-1-ylethylamino)phenyl]pyrido[3,2-d]pyrimidin-4-amine);3-fluoro-N-(2-pyrrolidin-1-ylethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydrochloride
CID 159709467
N-[4-(5-amino-6-chloro-4-methyl-3-pyridinyl)-2-pyridinyl]-2-methylpyrimidin-4-amine;5-bromo-2-chloro-4-methylpyridin-3-amine;2-methyl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]pyrimidin-4-amine
CID 160331938

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-fluoropyridine;6-chloropyrido[3,2-d]pyrimidin-4-amine;bis(6-(2-fluoro-4-pyridinyl)pyrido[3,2-d]pyrimidin-4-amine);2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;methane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?
The IUPAC name of 4-bromo-2-fluoropyridine;6-chloropyrido[3,2-d]pyrimidin-4-amine;bis(6-(2-fluoro-4-pyridinyl)pyrido[3,2-d]pyrimidin-4-amine);2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;methane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (CID 159260667) is 4-bromo-2-fluoropyridine;6-chloropyrido[3,2-d]pyrimidin-4-amine;bis(6-(2-fluoro-4-pyridinyl)pyrido[3,2-d]pyrimidin-4-amine);2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;methane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane.
What is the SMILES notation for 4-bromo-2-fluoropyridine;6-chloropyrido[3,2-d]pyrimidin-4-amine;bis(6-(2-fluoro-4-pyridinyl)pyrido[3,2-d]pyrimidin-4-amine);2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;methane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?
The canonical SMILES for 4-bromo-2-fluoropyridine;6-chloropyrido[3,2-d]pyrimidin-4-amine;bis(6-(2-fluoro-4-pyridinyl)pyrido[3,2-d]pyrimidin-4-amine);2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;methane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is C.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(c2ccnc(F)c2)OC1(C)C.Fc1cc(Br)ccn1.Nc1ncnc2ccc(-c3ccnc(F)c3)nc12.Nc1ncnc2ccc(-c3ccnc(F)c3)nc12.Nc1ncnc2ccc(Cl)nc12.
What is the InChIKey of 4-bromo-2-fluoropyridine;6-chloropyrido[3,2-d]pyrimidin-4-amine;bis(6-(2-fluoro-4-pyridinyl)pyrido[3,2-d]pyrimidin-4-amine);2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;methane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?
The InChIKey is KWLSFXFIDVRXAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24B2O4.2C12H8FN5.C11H15BFNO2.C7H5ClN4.C5H3BrFN.CH4/c1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;2*13-10-5-7(3-4-15-10)8-1-2-9-11(18-8)12(14)17-6-16-9;1-10(2)11(3,4)16-12(15-10)8-5-6-14-9(13)7-8;8-5-2-1-4-6(12-5)7(9)11-3-10-4;6-4-1-2-8-5(7)3-4;/h1-8H3;2*1-6H,(H2,14,16,17);5-7H,1-4H3;1-3H,(H2,9,10,11);1-3H;1H4.
What are the key properties of 4-bromo-2-fluoropyridine;6-chloropyrido[3,2-d]pyrimidin-4-amine;bis(6-(2-fluoro-4-pyridinyl)pyrido[3,2-d]pyrimidin-4-amine);2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;methane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?
4-bromo-2-fluoropyridine;6-chloropyrido[3,2-d]pyrimidin-4-amine;bis(6-(2-fluoro-4-pyridinyl)pyrido[3,2-d]pyrimidin-4-amine);2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;methane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane has a molecular weight of 1332.09 g/mol, XLogP of 11.27, 4 rotatable bonds, 3 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-fluoropyridine;6-chloropyrido[3,2-d]pyrimidin-4-amine;bis(6-(2-fluoro-4-pyridinyl)pyrido[3,2-d]pyrimidin-4-amine);2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;methane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is sourced from PubChem (CID 159260667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).