5-bromo-2-methylpyridine;5-bromo-2-methylpyrimidine;4-chloro-5-fluoro-2-methylpyridine;5-chloro-4-fluoro-2-methylpyridine;5-chloro-2-methylpyridin-4-amine;2-chloro-5-methylpyridine;5-chloro-2-methylpyridine;5-chloro-2-methylpyrimidine;5-fluoro-2-methylpyridine;5-fluoro-2-methylpyrimidine;2-methoxy-6-methylnaphthalene;5-methoxy-2-methylpyridine;5-methylpyridazin-3-amine;4-methylpyridazine;2-methylpyridin-4-amine;5-methylpyridin-2-amine;6-methylpyridin-3-amine;6-methylpyridin-3-ol;6-methylpyrimidin-4-amine

C115H128Br2Cl6F4N30O3 — CID 158196473

IUPAC5-bromo-2-methylpyridine;5-bromo-2-methylpyrimidine;4-chloro-5-fluoro-2-methylpyridine;5-chloro-4-fluoro-2-methylpyridine;5-chloro-2-methylpyridin-4-amine;2-chloro-5-methylpyridine;5-chloro-2-methylpyridine;5-chloro-2-methylpyrimidine;5-fluoro-2-methylpyridine;5-fluoro-2-methylpyrimidine;2-methoxy-6-methylnaphthalene;5-methoxy-2-methylpyridine;5-methylpyridazin-3-amine;4-methylpyridazine;2-methylpyridin-4-amine;5-methylpyridin-2-amine;6-methylpyridin-3-amine;6-methylpyridin-3-ol;6-methylpyrimidin-4-amine
SMILESCOc1ccc(C)nc1.COc1ccc2cc(C)ccc2c1.Cc1cc(Cl)c(F)cn1.Cc1cc(F)c(Cl)cn1.Cc1cc(N)c(Cl)cn1.Cc1cc(N)ccn1.Cc1cc(N)ncn1.Cc1ccc(Br)cn1.Cc1ccc(Cl)cn1.Cc1ccc(Cl)nc1.Cc1ccc(F)cn1.Cc1ccc(N)cn1.Cc1ccc(N)nc1.Cc1ccc(O)cn1.Cc1ccnnc1.Cc1cnnc(N)c1.Cc1ncc(Br)cn1.Cc1ncc(Cl)cn1.Cc1ncc(F)cn1
InChIInChI=1S/C12H12O.C7H9NO.C6H6BrN.2C6H5ClFN.C6H7ClN2.2C6H6ClN.C6H6FN.3C6H8N2.C6H7NO.C5H5BrN2.C5H5ClN2.C5H5FN2.2C5H7N3.C5H6N2/c1-9-3-4-11-8-12(13-2)6-5-10(11)7-9;1-6-3-4-7(9-2)5-8-6;1-5-2-3-6(7)4-8-5;1-4-2-6(8)5(7)3-9-4;1-4-2-5(7)6(8)3-9-4;1-4-2-6(8)5(7)3-9-4;1-5-2-3-6(7)4-8-5;1-5-2-3-6(7)8-4-5;1-5-2-3-6(7)4-8-5;1-5-4-6(7)2-3-8-5;1-5-2-3-6(7)4-8-5;1-5-2-3-6(7)8-4-5;1-5-2-3-6(8)4-7-5;3*1-4-7-2-5(6)3-8-4;1-4-2-5(6)8-3-7-4;1-4-2-5(6)8-7-3-4;1-5-2-3-6-7-4-5/h3-8H,1-2H3;3-5H,1-2H3;2-4H,1H3;2*2-3H,1H3;2-3H,1H3,(H2,8,9);3*2-4H,1H3;2-4H,1H3,(H2,7,8);2-4H,7H2,1H3;2-4H,1H3,(H2,7,8);2-4,8H,1H3;3*2-3H,1H3;2-3H,1H3,(H2,6,7,8);2-3H,1H3,(H2,6,8);2-4H,1H3
InChIKeyGAJYBPLIIQSLGW-UHFFFAOYSA-N
MW2427.01 g/mol
LogP27.76
Rot. Bonds2

About 5-bromo-2-methylpyridine;5-bromo-2-methylpyrimidine;4-chloro-5-fluoro-2-methylpyridine;5-chloro-4-fluoro-2-methylpyridine;5-chloro-2-methylpyridin-4-amine;2-chloro-5-methylpyridine;5-chloro-2-methylpyridine;5-chloro-2-methylpyrimidine;5-fluoro-2-methylpyridine;5-fluoro-2-methylpyrimidine;2-methoxy-6-methylnaphthalene;5-methoxy-2-methylpyridine;5-methylpyridazin-3-amine;4-methylpyridazine;2-methylpyridin-4-amine;5-methylpyridin-2-amine;6-methylpyridin-3-amine;6-methylpyridin-3-ol;6-methylpyrimidin-4-amine

5-bromo-2-methylpyridine;5-bromo-2-methylpyrimidine;4-chloro-5-fluoro-2-methylpyridine;5-chloro-4-fluoro-2-methylpyridine;5-chloro-2-methylpyridin-4-amine;2-chloro-5-methylpyridine;5-chloro-2-methylpyridine;5-chloro-2-methylpyrimidine;5-fluoro-2-methylpyridine;5-fluoro-2-methylpyrimidine;2-methoxy-6-methylnaphthalene;5-methoxy-2-methylpyridine;5-methylpyridazin-3-amine;4-methylpyridazine;2-methylpyridin-4-amine;5-methylpyridin-2-amine;6-methylpyridin-3-amine;6-methylpyridin-3-ol;6-methylpyrimidin-4-amine (PubChem CID 158196473) has the molecular formula C115H128Br2Cl6F4N30O3 and a molecular weight of 2427.01 g/mol. Its IUPAC name is 5-bromo-2-methylpyridine;5-bromo-2-methylpyrimidine;4-chloro-5-fluoro-2-methylpyridine;5-chloro-4-fluoro-2-methylpyridine;5-chloro-2-methylpyridin-4-amine;2-chloro-5-methylpyridine;5-chloro-2-methylpyridine;5-chloro-2-methylpyrimidine;5-fluoro-2-methylpyridine;5-fluoro-2-methylpyrimidine;2-methoxy-6-methylnaphthalene;5-methoxy-2-methylpyridine;5-methylpyridazin-3-amine;4-methylpyridazine;2-methylpyridin-4-amine;5-methylpyridin-2-amine;6-methylpyridin-3-amine;6-methylpyridin-3-ol;6-methylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-methylpyridine;5-bromo-2-methylpyrimidine;4-chloro-5-fluoro-2-methylpyridine;5-chloro-4-fluoro-2-methylpyridine;5-chloro-2-methylpyridin-4-amine;2-chloro-5-methylpyridine;5-chloro-2-methylpyridine;5-chloro-2-methylpyrimidine;5-fluoro-2-methylpyridine;5-fluoro-2-methylpyrimidine;2-methoxy-6-methylnaphthalene;5-methoxy-2-methylpyridine;5-methylpyridazin-3-amine;4-methylpyridazine;2-methylpyridin-4-amine;5-methylpyridin-2-amine;6-methylpyridin-3-amine;6-methylpyridin-3-ol;6-methylpyrimidin-4-amine
PubChem CID158196473
Molecular FormulaC115H128Br2Cl6F4N30O3
Molecular Weight2427.01 g/mol
Exact Mass2420.72
IUPAC Name5-bromo-2-methylpyridine;5-bromo-2-methylpyrimidine;4-chloro-5-fluoro-2-methylpyridine;5-chloro-4-fluoro-2-methylpyridine;5-chloro-2-methylpyridin-4-amine;2-chloro-5-methylpyridine;5-chloro-2-methylpyridine;5-chloro-2-methylpyrimidine;5-fluoro-2-methylpyridine;5-fluoro-2-methylpyrimidine;2-methoxy-6-methylnaphthalene;5-methoxy-2-methylpyridine;5-methylpyridazin-3-amine;4-methylpyridazine;2-methylpyridin-4-amine;5-methylpyridin-2-amine;6-methylpyridin-3-amine;6-methylpyridin-3-ol;6-methylpyrimidin-4-amine
SMILESCOc1ccc(C)nc1.COc1ccc2cc(C)ccc2c1.Cc1cc(Cl)c(F)cn1.Cc1cc(F)c(Cl)cn1.Cc1cc(N)c(Cl)cn1.Cc1cc(N)ccn1.Cc1cc(N)ncn1.Cc1ccc(Br)cn1.Cc1ccc(Cl)cn1.Cc1ccc(Cl)nc1.Cc1ccc(F)cn1.Cc1ccc(N)cn1.Cc1ccc(N)nc1.Cc1ccc(O)cn1.Cc1ccnnc1.Cc1cnnc(N)c1.Cc1ncc(Br)cn1.Cc1ncc(Cl)cn1.Cc1ncc(F)cn1
InChIInChI=1S/C12H12O.C7H9NO.C6H6BrN.2C6H5ClFN.C6H7ClN2.2C6H6ClN.C6H6FN.3C6H8N2.C6H7NO.C5H5BrN2.C5H5ClN2.C5H5FN2.2C5H7N3.C5H6N2/c1-9-3-4-11-8-12(13-2)6-5-10(11)7-9;1-6-3-4-7(9-2)5-8-6;1-5-2-3-6(7)4-8-5;1-4-2-6(8)5(7)3-9-4;1-4-2-5(7)6(8)3-9-4;1-4-2-6(8)5(7)3-9-4;1-5-2-3-6(7)4-8-5;1-5-2-3-6(7)8-4-5;1-5-2-3-6(7)4-8-5;1-5-4-6(7)2-3-8-5;1-5-2-3-6(7)4-8-5;1-5-2-3-6(7)8-4-5;1-5-2-3-6(8)4-7-5;3*1-4-7-2-5(6)3-8-4;1-4-2-5(6)8-3-7-4;1-4-2-5(6)8-7-3-4;1-5-2-3-6-7-4-5/h3-8H,1-2H3;3-5H,1-2H3;2-4H,1H3;2*2-3H,1H3;2-3H,1H3,(H2,8,9);3*2-4H,1H3;2-4H,1H3,(H2,7,8);2-4H,7H2,1H3;2-4H,1H3,(H2,7,8);2-4,8H,1H3;3*2-3H,1H3;2-3H,1H3,(H2,6,7,8);2-3H,1H3,(H2,6,8);2-4H,1H3
InChIKeyGAJYBPLIIQSLGW-UHFFFAOYSA-N
XLogP27.76
TPSA504.17 Ų
H-Bond Donors7
H-Bond Acceptors33
Rotatable Bonds2
Heavy Atoms160
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002427.01
LogP ≤ 527.76
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1033

Computed Properties (RDKit)

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

Analyze 5-bromo-2-methylpyridine;5-bromo-2-methylpyrimidine;4-chloro-5-fluoro-2-methylpyridine;5-chloro-4-fluoro-2-methylpyridine;5-chloro-2-methylpyridin-4-amine;2-chloro-5-methylpyridine;5-chloro-2-methylpyridine;5-chloro-2-methylpyrimidine;5-fluoro-2-methylpyridine;5-fluoro-2-methylpyrimidine;2-methoxy-6-methylnaphthalene;5-methoxy-2-methylpyridine;5-methylpyridazin-3-amine;4-methylpyridazine;2-methylpyridin-4-amine;5-methylpyridin-2-amine;6-methylpyridin-3-amine;6-methylpyridin-3-ol;6-methylpyrimidin-4-amine with MolForge

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Launch Full Analysis

Related Compounds

3-Bromo-6-propan-2-ylpyridazine;1-chloro-2-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;2-chloro-5-propan-2-ylpyrazine;3-chloro-6-propan-2-ylpyridazine;2-chloro-3-propan-2-ylpyridine;2-chloro-5-propan-2-ylpyridine;3-cyclopropyl-6-propan-2-ylpyridazine;1,2-dimethyl-4-propan-2-ylbenzene;2-fluoro-1-isocyano-4-propan-2-ylbenzene;2-fluoro-1-methoxy-4-propan-2-ylbenzene;4-fluoro-3-methoxy-6-propan-2-ylpyridazine;2-fluoro-1-methyl-4-propan-2-ylbenzene;bis(4-fluoro-3-methyl-6-propan-2-ylpyridazine);1-isocyano-2-methyl-4-propan-2-ylbenzene;1-methoxy-2-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;2-methoxy-5-propan-2-ylpyrazine;1-methyl-3-propan-2-ylbenzene;tris(2-methyl-5-propan-2-ylpyrazine);tris(3-methyl-6-propan-2-ylpyridazine);2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;4-propan-2-ylpyrimidine;1-propan-2-yl-2-(trifluoromethoxy)benzene
CID 157350401
5-Bromo-2-methylpyridine;5-bromo-2-methylpyrimidine;5-chloro-2,3-dimethylpyridine;2-chloro-4-fluoro-5-methylpyridine;4-chloro-5-fluoro-2-methylpyridine;5-chloro-3-fluoro-2-methylpyridine;5-chloro-4-fluoro-2-methylpyridine;5-chloro-3-isocyano-2-methylpyridine;5-chloro-2-methylpyridin-4-amine;bis(2-chloro-5-methylpyridine);5-chloro-2-methylpyridine;5-chloro-2-methylpyrimidine;5-chloro-2-methyl-3-(sulfinatoamino)pyridine;5-fluoro-2-methylpyridine;5-fluoro-2-methylpyrimidine;5-methoxy-2-methylpyridine;5-methylpyridazin-3-amine;4-methylpyridazine;2-methylpyridin-4-amine;4-methylpyridin-2-amine;5-methylpyridin-2-amine;6-methylpyridin-3-amine;6-methylpyridin-3-ol;6-methylpyrimidin-4-amine;sulfur dioxide
CID 159916377

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methylpyridine;5-bromo-2-methylpyrimidine;4-chloro-5-fluoro-2-methylpyridine;5-chloro-4-fluoro-2-methylpyridine;5-chloro-2-methylpyridin-4-amine;2-chloro-5-methylpyridine;5-chloro-2-methylpyridine;5-chloro-2-methylpyrimidine;5-fluoro-2-methylpyridine;5-fluoro-2-methylpyrimidine;2-methoxy-6-methylnaphthalene;5-methoxy-2-methylpyridine;5-methylpyridazin-3-amine;4-methylpyridazine;2-methylpyridin-4-amine;5-methylpyridin-2-amine;6-methylpyridin-3-amine;6-methylpyridin-3-ol;6-methylpyrimidin-4-amine?
The IUPAC name of 5-bromo-2-methylpyridine;5-bromo-2-methylpyrimidine;4-chloro-5-fluoro-2-methylpyridine;5-chloro-4-fluoro-2-methylpyridine;5-chloro-2-methylpyridin-4-amine;2-chloro-5-methylpyridine;5-chloro-2-methylpyridine;5-chloro-2-methylpyrimidine;5-fluoro-2-methylpyridine;5-fluoro-2-methylpyrimidine;2-methoxy-6-methylnaphthalene;5-methoxy-2-methylpyridine;5-methylpyridazin-3-amine;4-methylpyridazine;2-methylpyridin-4-amine;5-methylpyridin-2-amine;6-methylpyridin-3-amine;6-methylpyridin-3-ol;6-methylpyrimidin-4-amine (CID 158196473) is 5-bromo-2-methylpyridine;5-bromo-2-methylpyrimidine;4-chloro-5-fluoro-2-methylpyridine;5-chloro-4-fluoro-2-methylpyridine;5-chloro-2-methylpyridin-4-amine;2-chloro-5-methylpyridine;5-chloro-2-methylpyridine;5-chloro-2-methylpyrimidine;5-fluoro-2-methylpyridine;5-fluoro-2-methylpyrimidine;2-methoxy-6-methylnaphthalene;5-methoxy-2-methylpyridine;5-methylpyridazin-3-amine;4-methylpyridazine;2-methylpyridin-4-amine;5-methylpyridin-2-amine;6-methylpyridin-3-amine;6-methylpyridin-3-ol;6-methylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-methylpyridine;5-bromo-2-methylpyrimidine;4-chloro-5-fluoro-2-methylpyridine;5-chloro-4-fluoro-2-methylpyridine;5-chloro-2-methylpyridin-4-amine;2-chloro-5-methylpyridine;5-chloro-2-methylpyridine;5-chloro-2-methylpyrimidine;5-fluoro-2-methylpyridine;5-fluoro-2-methylpyrimidine;2-methoxy-6-methylnaphthalene;5-methoxy-2-methylpyridine;5-methylpyridazin-3-amine;4-methylpyridazine;2-methylpyridin-4-amine;5-methylpyridin-2-amine;6-methylpyridin-3-amine;6-methylpyridin-3-ol;6-methylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-methylpyridine;5-bromo-2-methylpyrimidine;4-chloro-5-fluoro-2-methylpyridine;5-chloro-4-fluoro-2-methylpyridine;5-chloro-2-methylpyridin-4-amine;2-chloro-5-methylpyridine;5-chloro-2-methylpyridine;5-chloro-2-methylpyrimidine;5-fluoro-2-methylpyridine;5-fluoro-2-methylpyrimidine;2-methoxy-6-methylnaphthalene;5-methoxy-2-methylpyridine;5-methylpyridazin-3-amine;4-methylpyridazine;2-methylpyridin-4-amine;5-methylpyridin-2-amine;6-methylpyridin-3-amine;6-methylpyridin-3-ol;6-methylpyrimidin-4-amine is COc1ccc(C)nc1.COc1ccc2cc(C)ccc2c1.Cc1cc(Cl)c(F)cn1.Cc1cc(F)c(Cl)cn1.Cc1cc(N)c(Cl)cn1.Cc1cc(N)ccn1.Cc1cc(N)ncn1.Cc1ccc(Br)cn1.Cc1ccc(Cl)cn1.Cc1ccc(Cl)nc1.Cc1ccc(F)cn1.Cc1ccc(N)cn1.Cc1ccc(N)nc1.Cc1ccc(O)cn1.Cc1ccnnc1.Cc1cnnc(N)c1.Cc1ncc(Br)cn1.Cc1ncc(Cl)cn1.Cc1ncc(F)cn1.
What is the InChIKey of 5-bromo-2-methylpyridine;5-bromo-2-methylpyrimidine;4-chloro-5-fluoro-2-methylpyridine;5-chloro-4-fluoro-2-methylpyridine;5-chloro-2-methylpyridin-4-amine;2-chloro-5-methylpyridine;5-chloro-2-methylpyridine;5-chloro-2-methylpyrimidine;5-fluoro-2-methylpyridine;5-fluoro-2-methylpyrimidine;2-methoxy-6-methylnaphthalene;5-methoxy-2-methylpyridine;5-methylpyridazin-3-amine;4-methylpyridazine;2-methylpyridin-4-amine;5-methylpyridin-2-amine;6-methylpyridin-3-amine;6-methylpyridin-3-ol;6-methylpyrimidin-4-amine?
The InChIKey is GAJYBPLIIQSLGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O.C7H9NO.C6H6BrN.2C6H5ClFN.C6H7ClN2.2C6H6ClN.C6H6FN.3C6H8N2.C6H7NO.C5H5BrN2.C5H5ClN2.C5H5FN2.2C5H7N3.C5H6N2/c1-9-3-4-11-8-12(13-2)6-5-10(11)7-9;1-6-3-4-7(9-2)5-8-6;1-5-2-3-6(7)4-8-5;1-4-2-6(8)5(7)3-9-4;1-4-2-5(7)6(8)3-9-4;1-4-2-6(8)5(7)3-9-4;1-5-2-3-6(7)4-8-5;1-5-2-3-6(7)8-4-5;1-5-2-3-6(7)4-8-5;1-5-4-6(7)2-3-8-5;1-5-2-3-6(7)4-8-5;1-5-2-3-6(7)8-4-5;1-5-2-3-6(8)4-7-5;3*1-4-7-2-5(6)3-8-4;1-4-2-5(6)8-3-7-4;1-4-2-5(6)8-7-3-4;1-5-2-3-6-7-4-5/h3-8H,1-2H3;3-5H,1-2H3;2-4H,1H3;2*2-3H,1H3;2-3H,1H3,(H2,8,9);3*2-4H,1H3;2-4H,1H3,(H2,7,8);2-4H,7H2,1H3;2-4H,1H3,(H2,7,8);2-4,8H,1H3;3*2-3H,1H3;2-3H,1H3,(H2,6,7,8);2-3H,1H3,(H2,6,8);2-4H,1H3.
What are the key properties of 5-bromo-2-methylpyridine;5-bromo-2-methylpyrimidine;4-chloro-5-fluoro-2-methylpyridine;5-chloro-4-fluoro-2-methylpyridine;5-chloro-2-methylpyridin-4-amine;2-chloro-5-methylpyridine;5-chloro-2-methylpyridine;5-chloro-2-methylpyrimidine;5-fluoro-2-methylpyridine;5-fluoro-2-methylpyrimidine;2-methoxy-6-methylnaphthalene;5-methoxy-2-methylpyridine;5-methylpyridazin-3-amine;4-methylpyridazine;2-methylpyridin-4-amine;5-methylpyridin-2-amine;6-methylpyridin-3-amine;6-methylpyridin-3-ol;6-methylpyrimidin-4-amine?
5-bromo-2-methylpyridine;5-bromo-2-methylpyrimidine;4-chloro-5-fluoro-2-methylpyridine;5-chloro-4-fluoro-2-methylpyridine;5-chloro-2-methylpyridin-4-amine;2-chloro-5-methylpyridine;5-chloro-2-methylpyridine;5-chloro-2-methylpyrimidine;5-fluoro-2-methylpyridine;5-fluoro-2-methylpyrimidine;2-methoxy-6-methylnaphthalene;5-methoxy-2-methylpyridine;5-methylpyridazin-3-amine;4-methylpyridazine;2-methylpyridin-4-amine;5-methylpyridin-2-amine;6-methylpyridin-3-amine;6-methylpyridin-3-ol;6-methylpyrimidin-4-amine has a molecular weight of 2427.01 g/mol, XLogP of 27.76, 2 rotatable bonds, 7 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methylpyridine;5-bromo-2-methylpyrimidine;4-chloro-5-fluoro-2-methylpyridine;5-chloro-4-fluoro-2-methylpyridine;5-chloro-2-methylpyridin-4-amine;2-chloro-5-methylpyridine;5-chloro-2-methylpyridine;5-chloro-2-methylpyrimidine;5-fluoro-2-methylpyridine;5-fluoro-2-methylpyrimidine;2-methoxy-6-methylnaphthalene;5-methoxy-2-methylpyridine;5-methylpyridazin-3-amine;4-methylpyridazine;2-methylpyridin-4-amine;5-methylpyridin-2-amine;6-methylpyridin-3-amine;6-methylpyridin-3-ol;6-methylpyrimidin-4-amine is sourced from PubChem (CID 158196473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).