5-bromo-4-chloro-6-(4-fluorophenyl)pyridin-2-amine;4-chloro-6-(4-fluorophenyl)-5-(4-methylquinazolin-6-yl)pyridin-2-amine;4-chloro-6-(4-fluorophenyl)pyridin-2-amine;4,6-dichloropyridin-2-amine;4-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazoline

C62H52BBrCl5F3N12O2 — CID 163809519

IUPAC5-bromo-4-chloro-6-(4-fluorophenyl)pyridin-2-amine;4-chloro-6-(4-fluorophenyl)-5-(4-methylquinazolin-6-yl)pyridin-2-amine;4-chloro-6-(4-fluorophenyl)pyridin-2-amine;4,6-dichloropyridin-2-amine;4-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazoline
SMILESCc1ncnc2ccc(-c3c(Cl)cc(N)nc3-c3ccc(F)cc3)cc12.Cc1ncnc2ccc(B3OC(C)(C)C(C)(C)O3)cc12.Nc1cc(Cl)c(Br)c(-c2ccc(F)cc2)n1.Nc1cc(Cl)cc(-c2ccc(F)cc2)n1.Nc1cc(Cl)cc(Cl)n1
InChIInChI=1S/C20H14ClFN4.C15H19BN2O2.C11H7BrClFN2.C11H8ClFN2.C5H4Cl2N2/c1-11-15-8-13(4-7-17(15)25-10-24-11)19-16(21)9-18(23)26-20(19)12-2-5-14(22)6-3-12;1-10-12-8-11(6-7-13(12)18-9-17-10)16-19-14(2,3)15(4,5)20-16;12-10-8(13)5-9(15)16-11(10)6-1-3-7(14)4-2-6;12-8-5-10(15-11(14)6-8)7-1-3-9(13)4-2-7;6-3-1-4(7)9-5(8)2-3/h2-10H,1H3,(H2,23,26);6-9H,1-5H3;1-5H,(H2,15,16);1-6H,(H2,14,15);1-2H,(H2,8,9)
InChIKeyNMABPXWDAZPLOE-UHFFFAOYSA-N
MW1322.15 g/mol
LogP16.26
Rot. Bonds5

About 5-bromo-4-chloro-6-(4-fluorophenyl)pyridin-2-amine;4-chloro-6-(4-fluorophenyl)-5-(4-methylquinazolin-6-yl)pyridin-2-amine;4-chloro-6-(4-fluorophenyl)pyridin-2-amine;4,6-dichloropyridin-2-amine;4-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazoline

5-bromo-4-chloro-6-(4-fluorophenyl)pyridin-2-amine;4-chloro-6-(4-fluorophenyl)-5-(4-methylquinazolin-6-yl)pyridin-2-amine;4-chloro-6-(4-fluorophenyl)pyridin-2-amine;4,6-dichloropyridin-2-amine;4-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazoline (PubChem CID 163809519) has the molecular formula C62H52BBrCl5F3N12O2 and a molecular weight of 1322.15 g/mol. Its IUPAC name is 5-bromo-4-chloro-6-(4-fluorophenyl)pyridin-2-amine;4-chloro-6-(4-fluorophenyl)-5-(4-methylquinazolin-6-yl)pyridin-2-amine;4-chloro-6-(4-fluorophenyl)pyridin-2-amine;4,6-dichloropyridin-2-amine;4-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazoline.

Molecular Properties

Compound Name5-bromo-4-chloro-6-(4-fluorophenyl)pyridin-2-amine;4-chloro-6-(4-fluorophenyl)-5-(4-methylquinazolin-6-yl)pyridin-2-amine;4-chloro-6-(4-fluorophenyl)pyridin-2-amine;4,6-dichloropyridin-2-amine;4-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazoline
PubChem CID163809519
Molecular FormulaC62H52BBrCl5F3N12O2
Molecular Weight1322.15 g/mol
Exact Mass1318.20
IUPAC Name5-bromo-4-chloro-6-(4-fluorophenyl)pyridin-2-amine;4-chloro-6-(4-fluorophenyl)-5-(4-methylquinazolin-6-yl)pyridin-2-amine;4-chloro-6-(4-fluorophenyl)pyridin-2-amine;4,6-dichloropyridin-2-amine;4-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazoline
SMILESCc1ncnc2ccc(-c3c(Cl)cc(N)nc3-c3ccc(F)cc3)cc12.Cc1ncnc2ccc(B3OC(C)(C)C(C)(C)O3)cc12.Nc1cc(Cl)c(Br)c(-c2ccc(F)cc2)n1.Nc1cc(Cl)cc(-c2ccc(F)cc2)n1.Nc1cc(Cl)cc(Cl)n1
InChIInChI=1S/C20H14ClFN4.C15H19BN2O2.C11H7BrClFN2.C11H8ClFN2.C5H4Cl2N2/c1-11-15-8-13(4-7-17(15)25-10-24-11)19-16(21)9-18(23)26-20(19)12-2-5-14(22)6-3-12;1-10-12-8-11(6-7-13(12)18-9-17-10)16-19-14(2,3)15(4,5)20-16;12-10-8(13)5-9(15)16-11(10)6-1-3-7(14)4-2-6;12-8-5-10(15-11(14)6-8)7-1-3-9(13)4-2-7;6-3-1-4(7)9-5(8)2-3/h2-10H,1H3,(H2,23,26);6-9H,1-5H3;1-5H,(H2,15,16);1-6H,(H2,14,15);1-2H,(H2,8,9)
InChIKeyNMABPXWDAZPLOE-UHFFFAOYSA-N
XLogP16.26
TPSA225.66 Ų
H-Bond Donors4
H-Bond Acceptors14
Rotatable Bonds5
Heavy Atoms86
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001322.15
LogP ≤ 516.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze 5-bromo-4-chloro-6-(4-fluorophenyl)pyridin-2-amine;4-chloro-6-(4-fluorophenyl)-5-(4-methylquinazolin-6-yl)pyridin-2-amine;4-chloro-6-(4-fluorophenyl)pyridin-2-amine;4,6-dichloropyridin-2-amine;4-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazoline with MolForge

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Related Compounds

6-[2-[3-[4-Amino-6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]quinazolin-8-yl]-4-fluorophenyl]-3-pyridinyl]-8-methylquinazolin-4-amine;6-[2-(3,4-difluoro-6-methylcyclohexa-2,4-dien-1-yl)-3-pyridinyl]quinazolin-4-amine;ethane
CID 144943551
4,6-Dichloro-2-(4-phenylphenyl)pyrimidine;4-[2-(4-phenylphenyl)-6-quinolin-4-ylpyrimidin-4-yl]quinoline;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline
CID 157062380
6-Bromo-5-(4-chlorophenyl)-1,2,4-triazin-3-amine;bis(5-(4-chlorophenyl)-6-(4-methylquinazolin-6-yl)-1,2,4-triazin-3-amine);methane;4-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazoline
CID 157074969
6-bromo-N-(3-chloro-4-fluorophenyl)-2-pyridin-3-ylquinazolin-4-amine;N-(3-chloro-4-fluorophenyl)-2-pyridin-3-yl-6-(4-pyrrolidin-1-ylbutyl)quinazolin-4-amine;methane;3-pyrrolidin-1-ylpropan-1-amine
CID 157164302
6-Bromo-5-(4-fluorophenyl)-1,2,4-triazin-3-amine;bis(6-(4-chloroquinolin-6-yl)-5-(4-fluorophenyl)-1,2,4-triazin-3-amine);4-chloro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline
CID 157267754
2,4-Dichloro-6,8-dinaphthalen-2-ylquinazoline;6,8-dinaphthalen-2-yl-2-(4-pyridin-4-ylcyclohexa-1,3,5-trien-1-yl)-4-(4-pyridin-4-ylphenyl)quinazoline;4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine;hydrofluoride
CID 157290752
2,4-Bis(4-pyridin-4-ylphenyl)quinazoline;2,4-dichloroquinazoline;4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine
CID 157341769
N-(3-chloro-4-fluorophenyl)-6-(3-chlorophenyl)-2-pyridin-3-ylquinazolin-4-amine;N-(3-chloro-4-fluorophenyl)-6-iodo-2-pyridin-3-ylquinazolin-4-amine;(3-chlorophenyl)boronic acid
CID 157574759
1,7-Dichloro-3,9-dimethylquinolino[8,7-h]quinoline;3,9-dimethyl-1,7-bis(3-pyrimidin-2-ylphenyl)quinolino[8,7-h]quinoline;2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrimidine
CID 157577710
2,4-Bis(4-quinolin-8-ylphenyl)quinazoline;2,4-dichloroquinazoline;8-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]quinoline
CID 158569015
Deuterium monohydride;3-[4-(2,6-dichloropyrimidin-4-yl)phenyl]quinoline;3-[4-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)phenyl]quinoline;methane;naphthalen-2-ylboronic acid;3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]quinoline;2,4,6-trichloropyrimidine
CID 158734859
2-Bromo-6-ethylpyridine;6-bromoquinazolin-4-amine;6-(2-chlorophenyl)quinazolin-4-amine;2-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;6-[2-(6-ethyl-2-pyridinyl)-3-pyridinyl]quinazolin-4-amine
CID 158948645

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-chloro-6-(4-fluorophenyl)pyridin-2-amine;4-chloro-6-(4-fluorophenyl)-5-(4-methylquinazolin-6-yl)pyridin-2-amine;4-chloro-6-(4-fluorophenyl)pyridin-2-amine;4,6-dichloropyridin-2-amine;4-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazoline?
The IUPAC name of 5-bromo-4-chloro-6-(4-fluorophenyl)pyridin-2-amine;4-chloro-6-(4-fluorophenyl)-5-(4-methylquinazolin-6-yl)pyridin-2-amine;4-chloro-6-(4-fluorophenyl)pyridin-2-amine;4,6-dichloropyridin-2-amine;4-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazoline (CID 163809519) is 5-bromo-4-chloro-6-(4-fluorophenyl)pyridin-2-amine;4-chloro-6-(4-fluorophenyl)-5-(4-methylquinazolin-6-yl)pyridin-2-amine;4-chloro-6-(4-fluorophenyl)pyridin-2-amine;4,6-dichloropyridin-2-amine;4-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazoline.
What is the SMILES notation for 5-bromo-4-chloro-6-(4-fluorophenyl)pyridin-2-amine;4-chloro-6-(4-fluorophenyl)-5-(4-methylquinazolin-6-yl)pyridin-2-amine;4-chloro-6-(4-fluorophenyl)pyridin-2-amine;4,6-dichloropyridin-2-amine;4-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazoline?
The canonical SMILES for 5-bromo-4-chloro-6-(4-fluorophenyl)pyridin-2-amine;4-chloro-6-(4-fluorophenyl)-5-(4-methylquinazolin-6-yl)pyridin-2-amine;4-chloro-6-(4-fluorophenyl)pyridin-2-amine;4,6-dichloropyridin-2-amine;4-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazoline is Cc1ncnc2ccc(-c3c(Cl)cc(N)nc3-c3ccc(F)cc3)cc12.Cc1ncnc2ccc(B3OC(C)(C)C(C)(C)O3)cc12.Nc1cc(Cl)c(Br)c(-c2ccc(F)cc2)n1.Nc1cc(Cl)cc(-c2ccc(F)cc2)n1.Nc1cc(Cl)cc(Cl)n1.
What is the InChIKey of 5-bromo-4-chloro-6-(4-fluorophenyl)pyridin-2-amine;4-chloro-6-(4-fluorophenyl)-5-(4-methylquinazolin-6-yl)pyridin-2-amine;4-chloro-6-(4-fluorophenyl)pyridin-2-amine;4,6-dichloropyridin-2-amine;4-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazoline?
The InChIKey is NMABPXWDAZPLOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClFN4.C15H19BN2O2.C11H7BrClFN2.C11H8ClFN2.C5H4Cl2N2/c1-11-15-8-13(4-7-17(15)25-10-24-11)19-16(21)9-18(23)26-20(19)12-2-5-14(22)6-3-12;1-10-12-8-11(6-7-13(12)18-9-17-10)16-19-14(2,3)15(4,5)20-16;12-10-8(13)5-9(15)16-11(10)6-1-3-7(14)4-2-6;12-8-5-10(15-11(14)6-8)7-1-3-9(13)4-2-7;6-3-1-4(7)9-5(8)2-3/h2-10H,1H3,(H2,23,26);6-9H,1-5H3;1-5H,(H2,15,16);1-6H,(H2,14,15);1-2H,(H2,8,9).
What are the key properties of 5-bromo-4-chloro-6-(4-fluorophenyl)pyridin-2-amine;4-chloro-6-(4-fluorophenyl)-5-(4-methylquinazolin-6-yl)pyridin-2-amine;4-chloro-6-(4-fluorophenyl)pyridin-2-amine;4,6-dichloropyridin-2-amine;4-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazoline?
5-bromo-4-chloro-6-(4-fluorophenyl)pyridin-2-amine;4-chloro-6-(4-fluorophenyl)-5-(4-methylquinazolin-6-yl)pyridin-2-amine;4-chloro-6-(4-fluorophenyl)pyridin-2-amine;4,6-dichloropyridin-2-amine;4-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazoline has a molecular weight of 1322.15 g/mol, XLogP of 16.26, 5 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-chloro-6-(4-fluorophenyl)pyridin-2-amine;4-chloro-6-(4-fluorophenyl)-5-(4-methylquinazolin-6-yl)pyridin-2-amine;4-chloro-6-(4-fluorophenyl)pyridin-2-amine;4,6-dichloropyridin-2-amine;4-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazoline is sourced from PubChem (CID 163809519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).