5-bromo-2,3-dimethylpyridine;2-bromo-3,4,5,6-tetramethylpyridine;3,5-dibromo-2-methylpyridine;3,5-dichloro-4-methylpyridine;2,6-dimethoxy-3-methylpyridine;3,4-dimethyl-2-(4-methylquinolin-2-yl)quinoline;2-(3,5-dimethylpyrazol-1-yl)-3-methylpyridine;5-isocyano-4,6-dimethylpyridine-3-carbonitrile;9-methylacridine

C91H90Br4Cl2N14O2 — CID 157305849

IUPAC5-bromo-2,3-dimethylpyridine;2-bromo-3,4,5,6-tetramethylpyridine;3,5-dibromo-2-methylpyridine;3,5-dichloro-4-methylpyridine;2,6-dimethoxy-3-methylpyridine;3,4-dimethyl-2-(4-methylquinolin-2-yl)quinoline;2-(3,5-dimethylpyrazol-1-yl)-3-methylpyridine;5-isocyano-4,6-dimethylpyridine-3-carbonitrile;9-methylacridine
SMILESCOc1ccc(C)c(OC)n1.Cc1c(-c2cc(C)c3ccccc3n2)nc2ccccc2c1C.Cc1c(Cl)cncc1Cl.Cc1c2ccccc2nc2ccccc12.Cc1cc(Br)cnc1C.Cc1cc(C)n(-c2ncccc2C)n1.Cc1nc(Br)c(C)c(C)c1C.Cc1ncc(Br)cc1Br.[C-]#[N+]c1c(C)ncc(C#N)c1C
InChIInChI=1S/C21H18N2.C14H11N.C11H13N3.C9H12BrN.C9H7N3.C8H11NO2.C7H8BrN.C6H5Br2N.C6H5Cl2N/c1-13-12-20(22-18-10-6-4-8-16(13)18)21-15(3)14(2)17-9-5-7-11-19(17)23-21;1-10-11-6-2-4-8-13(11)15-14-9-5-3-7-12(10)14;1-8-5-4-6-12-11(8)14-10(3)7-9(2)13-14;1-5-6(2)8(4)11-9(10)7(5)3;1-6-8(4-10)5-12-7(2)9(6)11-3;1-6-4-5-7(10-2)9-8(6)11-3;1-5-3-7(8)4-9-6(5)2;1-4-6(8)2-5(7)3-9-4;1-4-5(7)2-9-3-6(4)8/h4-12H,1-3H3;2-9H,1H3;4-7H,1-3H3;1-4H3;5H,1-2H3;4-5H,1-3H3;3-4H,1-2H3;2*2-3H,1H3
InChIKeyBCLMSZQERXXQCM-UHFFFAOYSA-N
MW1802.34 g/mol
LogP25.94
Rot. Bonds4

About 5-bromo-2,3-dimethylpyridine;2-bromo-3,4,5,6-tetramethylpyridine;3,5-dibromo-2-methylpyridine;3,5-dichloro-4-methylpyridine;2,6-dimethoxy-3-methylpyridine;3,4-dimethyl-2-(4-methylquinolin-2-yl)quinoline;2-(3,5-dimethylpyrazol-1-yl)-3-methylpyridine;5-isocyano-4,6-dimethylpyridine-3-carbonitrile;9-methylacridine

5-bromo-2,3-dimethylpyridine;2-bromo-3,4,5,6-tetramethylpyridine;3,5-dibromo-2-methylpyridine;3,5-dichloro-4-methylpyridine;2,6-dimethoxy-3-methylpyridine;3,4-dimethyl-2-(4-methylquinolin-2-yl)quinoline;2-(3,5-dimethylpyrazol-1-yl)-3-methylpyridine;5-isocyano-4,6-dimethylpyridine-3-carbonitrile;9-methylacridine (PubChem CID 157305849) has the molecular formula C91H90Br4Cl2N14O2 and a molecular weight of 1802.34 g/mol. Its IUPAC name is 5-bromo-2,3-dimethylpyridine;2-bromo-3,4,5,6-tetramethylpyridine;3,5-dibromo-2-methylpyridine;3,5-dichloro-4-methylpyridine;2,6-dimethoxy-3-methylpyridine;3,4-dimethyl-2-(4-methylquinolin-2-yl)quinoline;2-(3,5-dimethylpyrazol-1-yl)-3-methylpyridine;5-isocyano-4,6-dimethylpyridine-3-carbonitrile;9-methylacridine.

Molecular Properties

Compound Name5-bromo-2,3-dimethylpyridine;2-bromo-3,4,5,6-tetramethylpyridine;3,5-dibromo-2-methylpyridine;3,5-dichloro-4-methylpyridine;2,6-dimethoxy-3-methylpyridine;3,4-dimethyl-2-(4-methylquinolin-2-yl)quinoline;2-(3,5-dimethylpyrazol-1-yl)-3-methylpyridine;5-isocyano-4,6-dimethylpyridine-3-carbonitrile;9-methylacridine
PubChem CID157305849
Molecular FormulaC91H90Br4Cl2N14O2
Molecular Weight1802.34 g/mol
Exact Mass1796.35
IUPAC Name5-bromo-2,3-dimethylpyridine;2-bromo-3,4,5,6-tetramethylpyridine;3,5-dibromo-2-methylpyridine;3,5-dichloro-4-methylpyridine;2,6-dimethoxy-3-methylpyridine;3,4-dimethyl-2-(4-methylquinolin-2-yl)quinoline;2-(3,5-dimethylpyrazol-1-yl)-3-methylpyridine;5-isocyano-4,6-dimethylpyridine-3-carbonitrile;9-methylacridine
SMILESCOc1ccc(C)c(OC)n1.Cc1c(-c2cc(C)c3ccccc3n2)nc2ccccc2c1C.Cc1c(Cl)cncc1Cl.Cc1c2ccccc2nc2ccccc12.Cc1cc(Br)cnc1C.Cc1cc(C)n(-c2ncccc2C)n1.Cc1nc(Br)c(C)c(C)c1C.Cc1ncc(Br)cc1Br.[C-]#[N+]c1c(C)ncc(C#N)c1C
InChIInChI=1S/C21H18N2.C14H11N.C11H13N3.C9H12BrN.C9H7N3.C8H11NO2.C7H8BrN.C6H5Br2N.C6H5Cl2N/c1-13-12-20(22-18-10-6-4-8-16(13)18)21-15(3)14(2)17-9-5-7-11-19(17)23-21;1-10-11-6-2-4-8-13(11)15-14-9-5-3-7-12(10)14;1-8-5-4-6-12-11(8)14-10(3)7-9(2)13-14;1-5-6(2)8(4)11-9(10)7(5)3;1-6-8(4-10)5-12-7(2)9(6)11-3;1-6-4-5-7(10-2)9-8(6)11-3;1-5-3-7(8)4-9-6(5)2;1-4-6(8)2-5(7)3-9-4;1-4-5(7)2-9-3-6(4)8/h4-12H,1-3H3;2-9H,1H3;4-7H,1-3H3;1-4H3;5H,1-2H3;4-5H,1-3H3;3-4H,1-2H3;2*2-3H,1H3
InChIKeyBCLMSZQERXXQCM-UHFFFAOYSA-N
XLogP25.94
TPSA193.33 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds4
Heavy Atoms113
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001802.34
LogP ≤ 525.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 5-bromo-2,3-dimethylpyridine;2-bromo-3,4,5,6-tetramethylpyridine;3,5-dibromo-2-methylpyridine;3,5-dichloro-4-methylpyridine;2,6-dimethoxy-3-methylpyridine;3,4-dimethyl-2-(4-methylquinolin-2-yl)quinoline;2-(3,5-dimethylpyrazol-1-yl)-3-methylpyridine;5-isocyano-4,6-dimethylpyridine-3-carbonitrile;9-methylacridine with MolForge

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Related Compounds

5-Bromo-2,3-dimethylpyridine;2-bromo-3,4,5,6-tetramethylpyridine;2-(4-chloro-3,5-dimethylphenoxy)-3-methylpyridine;3,5-dibromo-2-methylpyridine;3,5-dichloro-4-methylpyridine;2,6-dimethoxy-3-methylpyridine;2-(3,5-dimethylpyrazol-1-yl)-3-methylpyridine;5-isocyano-4,6-dimethylpyridine-3-carbonitrile;9-methylacridine
CID 157639713
Benzene;2-chloro-3-methylpyridine;2-chloro-4-methylpyridine;3-chloro-5-methylpyridine;2-chloropyridine;2,3-dimethylpyrazine;bis(2,3-dimethylpyridine);2,4-dimethylpyridine;2,6-dimethylpyridine;4,5-dimethylpyrimidine;2-methoxypyridine;3-methylpyridazine;pentakis(2-methylpyridine);tris(3-methylpyridine);bis(4-methylpyridine);2-methylpyrimidine;4-methylpyrimidine;bis(pyridine);quinoline;bis(5,6,7,8-tetrahydroquinoline);toluene
CID 158713961

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2,3-dimethylpyridine;2-bromo-3,4,5,6-tetramethylpyridine;3,5-dibromo-2-methylpyridine;3,5-dichloro-4-methylpyridine;2,6-dimethoxy-3-methylpyridine;3,4-dimethyl-2-(4-methylquinolin-2-yl)quinoline;2-(3,5-dimethylpyrazol-1-yl)-3-methylpyridine;5-isocyano-4,6-dimethylpyridine-3-carbonitrile;9-methylacridine?
The IUPAC name of 5-bromo-2,3-dimethylpyridine;2-bromo-3,4,5,6-tetramethylpyridine;3,5-dibromo-2-methylpyridine;3,5-dichloro-4-methylpyridine;2,6-dimethoxy-3-methylpyridine;3,4-dimethyl-2-(4-methylquinolin-2-yl)quinoline;2-(3,5-dimethylpyrazol-1-yl)-3-methylpyridine;5-isocyano-4,6-dimethylpyridine-3-carbonitrile;9-methylacridine (CID 157305849) is 5-bromo-2,3-dimethylpyridine;2-bromo-3,4,5,6-tetramethylpyridine;3,5-dibromo-2-methylpyridine;3,5-dichloro-4-methylpyridine;2,6-dimethoxy-3-methylpyridine;3,4-dimethyl-2-(4-methylquinolin-2-yl)quinoline;2-(3,5-dimethylpyrazol-1-yl)-3-methylpyridine;5-isocyano-4,6-dimethylpyridine-3-carbonitrile;9-methylacridine.
What is the SMILES notation for 5-bromo-2,3-dimethylpyridine;2-bromo-3,4,5,6-tetramethylpyridine;3,5-dibromo-2-methylpyridine;3,5-dichloro-4-methylpyridine;2,6-dimethoxy-3-methylpyridine;3,4-dimethyl-2-(4-methylquinolin-2-yl)quinoline;2-(3,5-dimethylpyrazol-1-yl)-3-methylpyridine;5-isocyano-4,6-dimethylpyridine-3-carbonitrile;9-methylacridine?
The canonical SMILES for 5-bromo-2,3-dimethylpyridine;2-bromo-3,4,5,6-tetramethylpyridine;3,5-dibromo-2-methylpyridine;3,5-dichloro-4-methylpyridine;2,6-dimethoxy-3-methylpyridine;3,4-dimethyl-2-(4-methylquinolin-2-yl)quinoline;2-(3,5-dimethylpyrazol-1-yl)-3-methylpyridine;5-isocyano-4,6-dimethylpyridine-3-carbonitrile;9-methylacridine is COc1ccc(C)c(OC)n1.Cc1c(-c2cc(C)c3ccccc3n2)nc2ccccc2c1C.Cc1c(Cl)cncc1Cl.Cc1c2ccccc2nc2ccccc12.Cc1cc(Br)cnc1C.Cc1cc(C)n(-c2ncccc2C)n1.Cc1nc(Br)c(C)c(C)c1C.Cc1ncc(Br)cc1Br.[C-]#[N+]c1c(C)ncc(C#N)c1C.
What is the InChIKey of 5-bromo-2,3-dimethylpyridine;2-bromo-3,4,5,6-tetramethylpyridine;3,5-dibromo-2-methylpyridine;3,5-dichloro-4-methylpyridine;2,6-dimethoxy-3-methylpyridine;3,4-dimethyl-2-(4-methylquinolin-2-yl)quinoline;2-(3,5-dimethylpyrazol-1-yl)-3-methylpyridine;5-isocyano-4,6-dimethylpyridine-3-carbonitrile;9-methylacridine?
The InChIKey is BCLMSZQERXXQCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2.C14H11N.C11H13N3.C9H12BrN.C9H7N3.C8H11NO2.C7H8BrN.C6H5Br2N.C6H5Cl2N/c1-13-12-20(22-18-10-6-4-8-16(13)18)21-15(3)14(2)17-9-5-7-11-19(17)23-21;1-10-11-6-2-4-8-13(11)15-14-9-5-3-7-12(10)14;1-8-5-4-6-12-11(8)14-10(3)7-9(2)13-14;1-5-6(2)8(4)11-9(10)7(5)3;1-6-8(4-10)5-12-7(2)9(6)11-3;1-6-4-5-7(10-2)9-8(6)11-3;1-5-3-7(8)4-9-6(5)2;1-4-6(8)2-5(7)3-9-4;1-4-5(7)2-9-3-6(4)8/h4-12H,1-3H3;2-9H,1H3;4-7H,1-3H3;1-4H3;5H,1-2H3;4-5H,1-3H3;3-4H,1-2H3;2*2-3H,1H3.
What are the key properties of 5-bromo-2,3-dimethylpyridine;2-bromo-3,4,5,6-tetramethylpyridine;3,5-dibromo-2-methylpyridine;3,5-dichloro-4-methylpyridine;2,6-dimethoxy-3-methylpyridine;3,4-dimethyl-2-(4-methylquinolin-2-yl)quinoline;2-(3,5-dimethylpyrazol-1-yl)-3-methylpyridine;5-isocyano-4,6-dimethylpyridine-3-carbonitrile;9-methylacridine?
5-bromo-2,3-dimethylpyridine;2-bromo-3,4,5,6-tetramethylpyridine;3,5-dibromo-2-methylpyridine;3,5-dichloro-4-methylpyridine;2,6-dimethoxy-3-methylpyridine;3,4-dimethyl-2-(4-methylquinolin-2-yl)quinoline;2-(3,5-dimethylpyrazol-1-yl)-3-methylpyridine;5-isocyano-4,6-dimethylpyridine-3-carbonitrile;9-methylacridine has a molecular weight of 1802.34 g/mol, XLogP of 25.94, 4 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2,3-dimethylpyridine;2-bromo-3,4,5,6-tetramethylpyridine;3,5-dibromo-2-methylpyridine;3,5-dichloro-4-methylpyridine;2,6-dimethoxy-3-methylpyridine;3,4-dimethyl-2-(4-methylquinolin-2-yl)quinoline;2-(3,5-dimethylpyrazol-1-yl)-3-methylpyridine;5-isocyano-4,6-dimethylpyridine-3-carbonitrile;9-methylacridine is sourced from PubChem (CID 157305849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).