5-bromo-2-methylpyridine;5-bromo-2-methylpyrimidine;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;6-chloro-2-methyl-1-benzofuran;5-chloro-2-methyl-3-methylperoxysulfanylpyridine;2-chloro-7-methylnaphthalene;5-chloro-2-methylpyridin-4-amine;bis(2-chloro-5-methylpyridine);5-chloro-2-methylpyridine;O-[(5-chloro-2-methyl-3-pyridinyl)methyl]hydroxylamine;O-[(5-chloro-2-methyl-3-pyridinyl)sulfanyloxy]hydroxylamine;5-chloro-2-methylpyrimidine;2,6-dimethylnaphthalene;3-fluoro-2-methylpyridine;5-fluoro-2-methylpyridine;5-fluoro-2-methylpyrimidine;2-methoxy-7-methylnaphthalene;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;hydrate

C204H217Br2Cl15F7N43O10S2 — CID 157361623

IUPAC5-bromo-2-methylpyridine;5-bromo-2-methylpyrimidine;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;6-chloro-2-methyl-1-benzofuran;5-chloro-2-methyl-3-methylperoxysulfanylpyridine;2-chloro-7-methylnaphthalene;5-chloro-2-methylpyridin-4-amine;bis(2-chloro-5-methylpyridine);5-chloro-2-methylpyridine;O-[(5-chloro-2-methyl-3-pyridinyl)methyl]hydroxylamine;O-[(5-chloro-2-methyl-3-pyridinyl)sulfanyloxy]hydroxylamine;5-chloro-2-methylpyrimidine;2,6-dimethylnaphthalene;3-fluoro-2-methylpyridine;5-fluoro-2-methylpyridine;5-fluoro-2-methylpyrimidine;2-methoxy-7-methylnaphthalene;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;hydrate
SMILESCOOSc1cc(Cl)cnc1C.COc1ccc(C)nc1.COc1ccc2ccc(C)cc2c1.Cc1cc(Cl)c(F)cn1.Cc1cc(F)c(Cl)cn1.Cc1cc(N)c(Cl)cn1.Cc1cc(N)ccn1.Cc1cc(N)ncn1.Cc1cc2ccc(Cl)cc2o1.Cc1ccc(Br)cn1.Cc1ccc(Cl)cn1.Cc1ccc(Cl)nc1.Cc1ccc(Cl)nc1.Cc1ccc(F)cn1.Cc1ccc(N)cn1.Cc1ccc(N)nc1.Cc1ccc(O)cn1.Cc1ccc2cc(C)ccc2c1.Cc1ccc2ccc(Cl)cc2c1.Cc1ccnc(N)c1.Cc1ccnnc1.Cc1cnc(Cl)cc1F.Cc1cnnc(N)c1.Cc1ncc(Br)cn1.Cc1ncc(Cl)cc1CON.Cc1ncc(Cl)cc1F.Cc1ncc(Cl)cc1SOON.Cc1ncc(Cl)cn1.Cc1ncc(F)cn1.Cc1ncccc1F.O.[C-]#[N+]c1cc(Cl)cnc1C
InChIInChI=1S/C12H12O.C12H12.C11H9Cl.C9H7ClO.C7H9ClN2O.C7H5ClN2.C7H8ClNO2S.C7H9NO.C6H6BrN.4C6H5ClFN.C6H7ClN2O2S.C6H7ClN2.3C6H6ClN.2C6H6FN.4C6H8N2.C6H7NO.C5H5BrN2.C5H5ClN2.C5H5FN2.2C5H7N3.C5H6N2.H2O/c1-9-3-4-10-5-6-12(13-2)8-11(10)7-9;1-9-3-5-12-8-10(2)4-6-11(12)7-9;1-8-2-3-9-4-5-11(12)7-10(9)6-8;1-6-4-7-2-3-8(10)5-9(7)11-6;1-5-6(4-11-9)2-7(8)3-10-5;1-5-7(9-2)3-6(8)4-10-5;1-5-7(12-11-10-2)3-6(8)4-9-5;1-6-3-4-7(9-2)5-8-6;1-5-2-3-6(7)4-8-5;1-4-6(8)2-5(7)3-9-4;1-4-3-9-6(7)2-5(4)8;1-4-2-6(8)5(7)3-9-4;1-4-2-5(7)6(8)3-9-4;1-4-6(12-11-10-8)2-5(7)3-9-4;1-4-2-6(8)5(7)3-9-4;1-5-2-3-6(7)4-8-5;2*1-5-2-3-6(7)8-4-5;1-5-2-3-6(7)4-8-5;1-5-6(7)3-2-4-8-5;1-5-4-6(7)2-3-8-5;1-5-2-3-6(7)4-8-5;1-5-2-3-8-6(7)4-5;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;3-8H,1-2H3;2-7H,1H3;2-5H,1H3;2-3H,4,9H2,1H3;3-4H,1H3;3-4H,1-2H3;3-5H,1-2H3;2-4H,1H3;4*2-3H,1H3;2-3H,8H2,1H3;2-3H,1H3,(H2,8,9);5*2-4H,1H3;2-4H,1H3,(H2,7,8);2-4H,7H2,1H3;2*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;1H2
InChIKeyJBTZMURGIWQBDI-UHFFFAOYSA-N
MW4319.99 g/mol
LogP55.02
Rot. Bonds10

About 5-bromo-2-methylpyridine;5-bromo-2-methylpyrimidine;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;6-chloro-2-methyl-1-benzofuran;5-chloro-2-methyl-3-methylperoxysulfanylpyridine;2-chloro-7-methylnaphthalene;5-chloro-2-methylpyridin-4-amine;bis(2-chloro-5-methylpyridine);5-chloro-2-methylpyridine;O-[(5-chloro-2-methyl-3-pyridinyl)methyl]hydroxylamine;O-[(5-chloro-2-methyl-3-pyridinyl)sulfanyloxy]hydroxylamine;5-chloro-2-methylpyrimidine;2,6-dimethylnaphthalene;3-fluoro-2-methylpyridine;5-fluoro-2-methylpyridine;5-fluoro-2-methylpyrimidine;2-methoxy-7-methylnaphthalene;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;hydrate

5-bromo-2-methylpyridine;5-bromo-2-methylpyrimidine;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;6-chloro-2-methyl-1-benzofuran;5-chloro-2-methyl-3-methylperoxysulfanylpyridine;2-chloro-7-methylnaphthalene;5-chloro-2-methylpyridin-4-amine;bis(2-chloro-5-methylpyridine);5-chloro-2-methylpyridine;O-[(5-chloro-2-methyl-3-pyridinyl)methyl]hydroxylamine;O-[(5-chloro-2-methyl-3-pyridinyl)sulfanyloxy]hydroxylamine;5-chloro-2-methylpyrimidine;2,6-dimethylnaphthalene;3-fluoro-2-methylpyridine;5-fluoro-2-methylpyridine;5-fluoro-2-methylpyrimidine;2-methoxy-7-methylnaphthalene;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;hydrate (PubChem CID 157361623) has the molecular formula C204H217Br2Cl15F7N43O10S2 and a molecular weight of 4319.99 g/mol. Its IUPAC name is 5-bromo-2-methylpyridine;5-bromo-2-methylpyrimidine;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;6-chloro-2-methyl-1-benzofuran;5-chloro-2-methyl-3-methylperoxysulfanylpyridine;2-chloro-7-methylnaphthalene;5-chloro-2-methylpyridin-4-amine;bis(2-chloro-5-methylpyridine);5-chloro-2-methylpyridine;O-[(5-chloro-2-methyl-3-pyridinyl)methyl]hydroxylamine;O-[(5-chloro-2-methyl-3-pyridinyl)sulfanyloxy]hydroxylamine;5-chloro-2-methylpyrimidine;2,6-dimethylnaphthalene;3-fluoro-2-methylpyridine;5-fluoro-2-methylpyridine;5-fluoro-2-methylpyrimidine;2-methoxy-7-methylnaphthalene;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;hydrate.

Molecular Properties

Compound Name5-bromo-2-methylpyridine;5-bromo-2-methylpyrimidine;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;6-chloro-2-methyl-1-benzofuran;5-chloro-2-methyl-3-methylperoxysulfanylpyridine;2-chloro-7-methylnaphthalene;5-chloro-2-methylpyridin-4-amine;bis(2-chloro-5-methylpyridine);5-chloro-2-methylpyridine;O-[(5-chloro-2-methyl-3-pyridinyl)methyl]hydroxylamine;O-[(5-chloro-2-methyl-3-pyridinyl)sulfanyloxy]hydroxylamine;5-chloro-2-methylpyrimidine;2,6-dimethylnaphthalene;3-fluoro-2-methylpyridine;5-fluoro-2-methylpyridine;5-fluoro-2-methylpyrimidine;2-methoxy-7-methylnaphthalene;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;hydrate
PubChem CID157361623
Molecular FormulaC204H217Br2Cl15F7N43O10S2
Molecular Weight4319.99 g/mol
Exact Mass4308.08
IUPAC Name5-bromo-2-methylpyridine;5-bromo-2-methylpyrimidine;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;6-chloro-2-methyl-1-benzofuran;5-chloro-2-methyl-3-methylperoxysulfanylpyridine;2-chloro-7-methylnaphthalene;5-chloro-2-methylpyridin-4-amine;bis(2-chloro-5-methylpyridine);5-chloro-2-methylpyridine;O-[(5-chloro-2-methyl-3-pyridinyl)methyl]hydroxylamine;O-[(5-chloro-2-methyl-3-pyridinyl)sulfanyloxy]hydroxylamine;5-chloro-2-methylpyrimidine;2,6-dimethylnaphthalene;3-fluoro-2-methylpyridine;5-fluoro-2-methylpyridine;5-fluoro-2-methylpyrimidine;2-methoxy-7-methylnaphthalene;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;hydrate
SMILESCOOSc1cc(Cl)cnc1C.COc1ccc(C)nc1.COc1ccc2ccc(C)cc2c1.Cc1cc(Cl)c(F)cn1.Cc1cc(F)c(Cl)cn1.Cc1cc(N)c(Cl)cn1.Cc1cc(N)ccn1.Cc1cc(N)ncn1.Cc1cc2ccc(Cl)cc2o1.Cc1ccc(Br)cn1.Cc1ccc(Cl)cn1.Cc1ccc(Cl)nc1.Cc1ccc(Cl)nc1.Cc1ccc(F)cn1.Cc1ccc(N)cn1.Cc1ccc(N)nc1.Cc1ccc(O)cn1.Cc1ccc2cc(C)ccc2c1.Cc1ccc2ccc(Cl)cc2c1.Cc1ccnc(N)c1.Cc1ccnnc1.Cc1cnc(Cl)cc1F.Cc1cnnc(N)c1.Cc1ncc(Br)cn1.Cc1ncc(Cl)cc1CON.Cc1ncc(Cl)cc1F.Cc1ncc(Cl)cc1SOON.Cc1ncc(Cl)cn1.Cc1ncc(F)cn1.Cc1ncccc1F.O.[C-]#[N+]c1cc(Cl)cnc1C
InChIInChI=1S/C12H12O.C12H12.C11H9Cl.C9H7ClO.C7H9ClN2O.C7H5ClN2.C7H8ClNO2S.C7H9NO.C6H6BrN.4C6H5ClFN.C6H7ClN2O2S.C6H7ClN2.3C6H6ClN.2C6H6FN.4C6H8N2.C6H7NO.C5H5BrN2.C5H5ClN2.C5H5FN2.2C5H7N3.C5H6N2.H2O/c1-9-3-4-10-5-6-12(13-2)8-11(10)7-9;1-9-3-5-12-8-10(2)4-6-11(12)7-9;1-8-2-3-9-4-5-11(12)7-10(9)6-8;1-6-4-7-2-3-8(10)5-9(7)11-6;1-5-6(4-11-9)2-7(8)3-10-5;1-5-7(9-2)3-6(8)4-10-5;1-5-7(12-11-10-2)3-6(8)4-9-5;1-6-3-4-7(9-2)5-8-6;1-5-2-3-6(7)4-8-5;1-4-6(8)2-5(7)3-9-4;1-4-3-9-6(7)2-5(4)8;1-4-2-6(8)5(7)3-9-4;1-4-2-5(7)6(8)3-9-4;1-4-6(12-11-10-8)2-5(7)3-9-4;1-4-2-6(8)5(7)3-9-4;1-5-2-3-6(7)4-8-5;2*1-5-2-3-6(7)8-4-5;1-5-2-3-6(7)4-8-5;1-5-6(7)3-2-4-8-5;1-5-4-6(7)2-3-8-5;1-5-2-3-6(7)4-8-5;1-5-2-3-8-6(7)4-5;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;3-8H,1-2H3;2-7H,1H3;2-5H,1H3;2-3H,4,9H2,1H3;3-4H,1H3;3-4H,1-2H3;3-5H,1-2H3;2-4H,1H3;4*2-3H,1H3;2-3H,8H2,1H3;2-3H,1H3,(H2,8,9);5*2-4H,1H3;2-4H,1H3,(H2,7,8);2-4H,7H2,1H3;2*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;1H2
InChIKeyJBTZMURGIWQBDI-UHFFFAOYSA-N
XLogP55.02
TPSA793.39 Ų
H-Bond Donors10
H-Bond Acceptors53
Rotatable Bonds10
Heavy Atoms283
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004319.99
LogP ≤ 555.02
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1053

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}

Analyze 5-bromo-2-methylpyridine;5-bromo-2-methylpyrimidine;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;6-chloro-2-methyl-1-benzofuran;5-chloro-2-methyl-3-methylperoxysulfanylpyridine;2-chloro-7-methylnaphthalene;5-chloro-2-methylpyridin-4-amine;bis(2-chloro-5-methylpyridine);5-chloro-2-methylpyridine;O-[(5-chloro-2-methyl-3-pyridinyl)methyl]hydroxylamine;O-[(5-chloro-2-methyl-3-pyridinyl)sulfanyloxy]hydroxylamine;5-chloro-2-methylpyrimidine;2,6-dimethylnaphthalene;3-fluoro-2-methylpyridine;5-fluoro-2-methylpyridine;5-fluoro-2-methylpyrimidine;2-methoxy-7-methylnaphthalene;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;hydrate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methylpyridine;5-bromo-2-methylpyrimidine;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;6-chloro-2-methyl-1-benzofuran;5-chloro-2-methyl-3-methylperoxysulfanylpyridine;2-chloro-7-methylnaphthalene;5-chloro-2-methylpyridin-4-amine;bis(2-chloro-5-methylpyridine);5-chloro-2-methylpyridine;O-[(5-chloro-2-methyl-3-pyridinyl)methyl]hydroxylamine;O-[(5-chloro-2-methyl-3-pyridinyl)sulfanyloxy]hydroxylamine;5-chloro-2-methylpyrimidine;2,6-dimethylnaphthalene;3-fluoro-2-methylpyridine;5-fluoro-2-methylpyridine;5-fluoro-2-methylpyrimidine;2-methoxy-7-methylnaphthalene;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;hydrate?
The IUPAC name of 5-bromo-2-methylpyridine;5-bromo-2-methylpyrimidine;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;6-chloro-2-methyl-1-benzofuran;5-chloro-2-methyl-3-methylperoxysulfanylpyridine;2-chloro-7-methylnaphthalene;5-chloro-2-methylpyridin-4-amine;bis(2-chloro-5-methylpyridine);5-chloro-2-methylpyridine;O-[(5-chloro-2-methyl-3-pyridinyl)methyl]hydroxylamine;O-[(5-chloro-2-methyl-3-pyridinyl)sulfanyloxy]hydroxylamine;5-chloro-2-methylpyrimidine;2,6-dimethylnaphthalene;3-fluoro-2-methylpyridine;5-fluoro-2-methylpyridine;5-fluoro-2-methylpyrimidine;2-methoxy-7-methylnaphthalene;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;hydrate (CID 157361623) is 5-bromo-2-methylpyridine;5-bromo-2-methylpyrimidine;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;6-chloro-2-methyl-1-benzofuran;5-chloro-2-methyl-3-methylperoxysulfanylpyridine;2-chloro-7-methylnaphthalene;5-chloro-2-methylpyridin-4-amine;bis(2-chloro-5-methylpyridine);5-chloro-2-methylpyridine;O-[(5-chloro-2-methyl-3-pyridinyl)methyl]hydroxylamine;O-[(5-chloro-2-methyl-3-pyridinyl)sulfanyloxy]hydroxylamine;5-chloro-2-methylpyrimidine;2,6-dimethylnaphthalene;3-fluoro-2-methylpyridine;5-fluoro-2-methylpyridine;5-fluoro-2-methylpyrimidine;2-methoxy-7-methylnaphthalene;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;hydrate.
What is the SMILES notation for 5-bromo-2-methylpyridine;5-bromo-2-methylpyrimidine;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;6-chloro-2-methyl-1-benzofuran;5-chloro-2-methyl-3-methylperoxysulfanylpyridine;2-chloro-7-methylnaphthalene;5-chloro-2-methylpyridin-4-amine;bis(2-chloro-5-methylpyridine);5-chloro-2-methylpyridine;O-[(5-chloro-2-methyl-3-pyridinyl)methyl]hydroxylamine;O-[(5-chloro-2-methyl-3-pyridinyl)sulfanyloxy]hydroxylamine;5-chloro-2-methylpyrimidine;2,6-dimethylnaphthalene;3-fluoro-2-methylpyridine;5-fluoro-2-methylpyridine;5-fluoro-2-methylpyrimidine;2-methoxy-7-methylnaphthalene;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;hydrate?
The canonical SMILES for 5-bromo-2-methylpyridine;5-bromo-2-methylpyrimidine;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;6-chloro-2-methyl-1-benzofuran;5-chloro-2-methyl-3-methylperoxysulfanylpyridine;2-chloro-7-methylnaphthalene;5-chloro-2-methylpyridin-4-amine;bis(2-chloro-5-methylpyridine);5-chloro-2-methylpyridine;O-[(5-chloro-2-methyl-3-pyridinyl)methyl]hydroxylamine;O-[(5-chloro-2-methyl-3-pyridinyl)sulfanyloxy]hydroxylamine;5-chloro-2-methylpyrimidine;2,6-dimethylnaphthalene;3-fluoro-2-methylpyridine;5-fluoro-2-methylpyridine;5-fluoro-2-methylpyrimidine;2-methoxy-7-methylnaphthalene;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;hydrate is COOSc1cc(Cl)cnc1C.COc1ccc(C)nc1.COc1ccc2ccc(C)cc2c1.Cc1cc(Cl)c(F)cn1.Cc1cc(F)c(Cl)cn1.Cc1cc(N)c(Cl)cn1.Cc1cc(N)ccn1.Cc1cc(N)ncn1.Cc1cc2ccc(Cl)cc2o1.Cc1ccc(Br)cn1.Cc1ccc(Cl)cn1.Cc1ccc(Cl)nc1.Cc1ccc(Cl)nc1.Cc1ccc(F)cn1.Cc1ccc(N)cn1.Cc1ccc(N)nc1.Cc1ccc(O)cn1.Cc1ccc2cc(C)ccc2c1.Cc1ccc2ccc(Cl)cc2c1.Cc1ccnc(N)c1.Cc1ccnnc1.Cc1cnc(Cl)cc1F.Cc1cnnc(N)c1.Cc1ncc(Br)cn1.Cc1ncc(Cl)cc1CON.Cc1ncc(Cl)cc1F.Cc1ncc(Cl)cc1SOON.Cc1ncc(Cl)cn1.Cc1ncc(F)cn1.Cc1ncccc1F.O.[C-]#[N+]c1cc(Cl)cnc1C.
What is the InChIKey of 5-bromo-2-methylpyridine;5-bromo-2-methylpyrimidine;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;6-chloro-2-methyl-1-benzofuran;5-chloro-2-methyl-3-methylperoxysulfanylpyridine;2-chloro-7-methylnaphthalene;5-chloro-2-methylpyridin-4-amine;bis(2-chloro-5-methylpyridine);5-chloro-2-methylpyridine;O-[(5-chloro-2-methyl-3-pyridinyl)methyl]hydroxylamine;O-[(5-chloro-2-methyl-3-pyridinyl)sulfanyloxy]hydroxylamine;5-chloro-2-methylpyrimidine;2,6-dimethylnaphthalene;3-fluoro-2-methylpyridine;5-fluoro-2-methylpyridine;5-fluoro-2-methylpyrimidine;2-methoxy-7-methylnaphthalene;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;hydrate?
The InChIKey is JBTZMURGIWQBDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O.C12H12.C11H9Cl.C9H7ClO.C7H9ClN2O.C7H5ClN2.C7H8ClNO2S.C7H9NO.C6H6BrN.4C6H5ClFN.C6H7ClN2O2S.C6H7ClN2.3C6H6ClN.2C6H6FN.4C6H8N2.C6H7NO.C5H5BrN2.C5H5ClN2.C5H5FN2.2C5H7N3.C5H6N2.H2O/c1-9-3-4-10-5-6-12(13-2)8-11(10)7-9;1-9-3-5-12-8-10(2)4-6-11(12)7-9;1-8-2-3-9-4-5-11(12)7-10(9)6-8;1-6-4-7-2-3-8(10)5-9(7)11-6;1-5-6(4-11-9)2-7(8)3-10-5;1-5-7(9-2)3-6(8)4-10-5;1-5-7(12-11-10-2)3-6(8)4-9-5;1-6-3-4-7(9-2)5-8-6;1-5-2-3-6(7)4-8-5;1-4-6(8)2-5(7)3-9-4;1-4-3-9-6(7)2-5(4)8;1-4-2-6(8)5(7)3-9-4;1-4-2-5(7)6(8)3-9-4;1-4-6(12-11-10-8)2-5(7)3-9-4;1-4-2-6(8)5(7)3-9-4;1-5-2-3-6(7)4-8-5;2*1-5-2-3-6(7)8-4-5;1-5-2-3-6(7)4-8-5;1-5-6(7)3-2-4-8-5;1-5-4-6(7)2-3-8-5;1-5-2-3-6(7)4-8-5;1-5-2-3-8-6(7)4-5;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;3-8H,1-2H3;2-7H,1H3;2-5H,1H3;2-3H,4,9H2,1H3;3-4H,1H3;3-4H,1-2H3;3-5H,1-2H3;2-4H,1H3;4*2-3H,1H3;2-3H,8H2,1H3;2-3H,1H3,(H2,8,9);5*2-4H,1H3;2-4H,1H3,(H2,7,8);2-4H,7H2,1H3;2*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;1H2.
What are the key properties of 5-bromo-2-methylpyridine;5-bromo-2-methylpyrimidine;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;6-chloro-2-methyl-1-benzofuran;5-chloro-2-methyl-3-methylperoxysulfanylpyridine;2-chloro-7-methylnaphthalene;5-chloro-2-methylpyridin-4-amine;bis(2-chloro-5-methylpyridine);5-chloro-2-methylpyridine;O-[(5-chloro-2-methyl-3-pyridinyl)methyl]hydroxylamine;O-[(5-chloro-2-methyl-3-pyridinyl)sulfanyloxy]hydroxylamine;5-chloro-2-methylpyrimidine;2,6-dimethylnaphthalene;3-fluoro-2-methylpyridine;5-fluoro-2-methylpyridine;5-fluoro-2-methylpyrimidine;2-methoxy-7-methylnaphthalene;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;hydrate?
5-bromo-2-methylpyridine;5-bromo-2-methylpyrimidine;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;6-chloro-2-methyl-1-benzofuran;5-chloro-2-methyl-3-methylperoxysulfanylpyridine;2-chloro-7-methylnaphthalene;5-chloro-2-methylpyridin-4-amine;bis(2-chloro-5-methylpyridine);5-chloro-2-methylpyridine;O-[(5-chloro-2-methyl-3-pyridinyl)methyl]hydroxylamine;O-[(5-chloro-2-methyl-3-pyridinyl)sulfanyloxy]hydroxylamine;5-chloro-2-methylpyrimidine;2,6-dimethylnaphthalene;3-fluoro-2-methylpyridine;5-fluoro-2-methylpyridine;5-fluoro-2-methylpyrimidine;2-methoxy-7-methylnaphthalene;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;hydrate has a molecular weight of 4319.99 g/mol, XLogP of 55.02, 10 rotatable bonds, 10 hydrogen bond donors, and 53 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methylpyridine;5-bromo-2-methylpyrimidine;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;6-chloro-2-methyl-1-benzofuran;5-chloro-2-methyl-3-methylperoxysulfanylpyridine;2-chloro-7-methylnaphthalene;5-chloro-2-methylpyridin-4-amine;bis(2-chloro-5-methylpyridine);5-chloro-2-methylpyridine;O-[(5-chloro-2-methyl-3-pyridinyl)methyl]hydroxylamine;O-[(5-chloro-2-methyl-3-pyridinyl)sulfanyloxy]hydroxylamine;5-chloro-2-methylpyrimidine;2,6-dimethylnaphthalene;3-fluoro-2-methylpyridine;5-fluoro-2-methylpyridine;5-fluoro-2-methylpyrimidine;2-methoxy-7-methylnaphthalene;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;hydrate is sourced from PubChem (CID 157361623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).