2-bromo-5-methylpyridine;2-chloro-3-methylpyridine;2-chloro-4-methylpyridine;2-chloro-5-methylpyridine;2-chloro-6-methylpyridine;3-chloro-5-methylpyridine;4-chloro-3-methylpyridine;5-chloro-2-methylpyridine;2,6-dichloro-3-methylpyridine;2,6-dichloro-4-methylpyridine;2,3-dimethylpyridine;2-ethoxy-5-methylpyridine;2-fluoro-4-methylpyridine;2-fluoro-5-methylpyridine;2-methoxy-5-methylpyridine;5-methyl-2-propan-2-yloxypyridine;2-methylpyridine;4-methylpyridine;5-methyl-2-(2,2,2-trifluoroethoxy)pyridine;5-methyl-2-(trifluoromethyl)pyridine

C130H140BrCl11F8N20O4 — CID 159403275

IUPAC2-bromo-5-methylpyridine;2-chloro-3-methylpyridine;2-chloro-4-methylpyridine;2-chloro-5-methylpyridine;2-chloro-6-methylpyridine;3-chloro-5-methylpyridine;4-chloro-3-methylpyridine;5-chloro-2-methylpyridine;2,6-dichloro-3-methylpyridine;2,6-dichloro-4-methylpyridine;2,3-dimethylpyridine;2-ethoxy-5-methylpyridine;2-fluoro-4-methylpyridine;2-fluoro-5-methylpyridine;2-methoxy-5-methylpyridine;5-methyl-2-propan-2-yloxypyridine;2-methylpyridine;4-methylpyridine;5-methyl-2-(2,2,2-trifluoroethoxy)pyridine;5-methyl-2-(trifluoromethyl)pyridine
SMILESCCOc1ccc(C)cn1.COc1ccc(C)cn1.Cc1cc(Cl)nc(Cl)c1.Cc1ccc(Br)nc1.Cc1ccc(C(F)(F)F)nc1.Cc1ccc(Cl)cn1.Cc1ccc(Cl)nc1.Cc1ccc(Cl)nc1Cl.Cc1ccc(F)nc1.Cc1ccc(OC(C)C)nc1.Cc1ccc(OCC(F)(F)F)nc1.Cc1cccc(Cl)n1.Cc1ccccn1.Cc1cccnc1C.Cc1cccnc1Cl.Cc1ccnc(Cl)c1.Cc1ccnc(F)c1.Cc1ccncc1.Cc1cncc(Cl)c1.Cc1cnccc1Cl
InChIInChI=1S/C9H13NO.C8H8F3NO.C8H11NO.C7H6F3N.C7H9NO.C7H9N.C6H6BrN.2C6H5Cl2N.7C6H6ClN.2C6H6FN.2C6H7N/c1-7(2)11-9-5-4-8(3)6-10-9;1-6-2-3-7(12-4-6)13-5-8(9,10)11;1-3-10-8-5-4-7(2)6-9-8;1-5-2-3-6(11-4-5)7(8,9)10;1-6-3-4-7(9-2)8-5-6;1-6-4-3-5-8-7(6)2;1-5-2-3-6(7)8-4-5;1-4-2-5(7)9-6(8)3-4;1-4-2-3-5(7)9-6(4)8;1-5-2-6(7)4-8-3-5;1-5-4-8-3-2-6(5)7;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;1-5-3-2-4-8-6(5)7;1-5-3-2-4-6(7)8-5;1-5-2-3-8-6(7)4-5;1-5-2-3-6(7)8-4-5;1-6-2-4-7-5-3-6;1-6-4-2-3-5-7-6/h4-7H,1-3H3;2-4H,5H2,1H3;4-6H,3H2,1-2H3;2-4H,1H3;3-5H,1-2H3;3-5H,1-2H3;2-4H,1H3;2*2-3H,1H3;9*2-4H,1H3;2*2-5H,1H3
InChIKeyLNPYDKIGQHJDCU-UHFFFAOYSA-N
MW2668.56 g/mol
LogP39.49
Rot. Bonds7

About 2-bromo-5-methylpyridine;2-chloro-3-methylpyridine;2-chloro-4-methylpyridine;2-chloro-5-methylpyridine;2-chloro-6-methylpyridine;3-chloro-5-methylpyridine;4-chloro-3-methylpyridine;5-chloro-2-methylpyridine;2,6-dichloro-3-methylpyridine;2,6-dichloro-4-methylpyridine;2,3-dimethylpyridine;2-ethoxy-5-methylpyridine;2-fluoro-4-methylpyridine;2-fluoro-5-methylpyridine;2-methoxy-5-methylpyridine;5-methyl-2-propan-2-yloxypyridine;2-methylpyridine;4-methylpyridine;5-methyl-2-(2,2,2-trifluoroethoxy)pyridine;5-methyl-2-(trifluoromethyl)pyridine

2-bromo-5-methylpyridine;2-chloro-3-methylpyridine;2-chloro-4-methylpyridine;2-chloro-5-methylpyridine;2-chloro-6-methylpyridine;3-chloro-5-methylpyridine;4-chloro-3-methylpyridine;5-chloro-2-methylpyridine;2,6-dichloro-3-methylpyridine;2,6-dichloro-4-methylpyridine;2,3-dimethylpyridine;2-ethoxy-5-methylpyridine;2-fluoro-4-methylpyridine;2-fluoro-5-methylpyridine;2-methoxy-5-methylpyridine;5-methyl-2-propan-2-yloxypyridine;2-methylpyridine;4-methylpyridine;5-methyl-2-(2,2,2-trifluoroethoxy)pyridine;5-methyl-2-(trifluoromethyl)pyridine (PubChem CID 159403275) has the molecular formula C130H140BrCl11F8N20O4 and a molecular weight of 2668.56 g/mol. Its IUPAC name is 2-bromo-5-methylpyridine;2-chloro-3-methylpyridine;2-chloro-4-methylpyridine;2-chloro-5-methylpyridine;2-chloro-6-methylpyridine;3-chloro-5-methylpyridine;4-chloro-3-methylpyridine;5-chloro-2-methylpyridine;2,6-dichloro-3-methylpyridine;2,6-dichloro-4-methylpyridine;2,3-dimethylpyridine;2-ethoxy-5-methylpyridine;2-fluoro-4-methylpyridine;2-fluoro-5-methylpyridine;2-methoxy-5-methylpyridine;5-methyl-2-propan-2-yloxypyridine;2-methylpyridine;4-methylpyridine;5-methyl-2-(2,2,2-trifluoroethoxy)pyridine;5-methyl-2-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-bromo-5-methylpyridine;2-chloro-3-methylpyridine;2-chloro-4-methylpyridine;2-chloro-5-methylpyridine;2-chloro-6-methylpyridine;3-chloro-5-methylpyridine;4-chloro-3-methylpyridine;5-chloro-2-methylpyridine;2,6-dichloro-3-methylpyridine;2,6-dichloro-4-methylpyridine;2,3-dimethylpyridine;2-ethoxy-5-methylpyridine;2-fluoro-4-methylpyridine;2-fluoro-5-methylpyridine;2-methoxy-5-methylpyridine;5-methyl-2-propan-2-yloxypyridine;2-methylpyridine;4-methylpyridine;5-methyl-2-(2,2,2-trifluoroethoxy)pyridine;5-methyl-2-(trifluoromethyl)pyridine
PubChem CID159403275
Molecular FormulaC130H140BrCl11F8N20O4
Molecular Weight2668.56 g/mol
Exact Mass2660.70
IUPAC Name2-bromo-5-methylpyridine;2-chloro-3-methylpyridine;2-chloro-4-methylpyridine;2-chloro-5-methylpyridine;2-chloro-6-methylpyridine;3-chloro-5-methylpyridine;4-chloro-3-methylpyridine;5-chloro-2-methylpyridine;2,6-dichloro-3-methylpyridine;2,6-dichloro-4-methylpyridine;2,3-dimethylpyridine;2-ethoxy-5-methylpyridine;2-fluoro-4-methylpyridine;2-fluoro-5-methylpyridine;2-methoxy-5-methylpyridine;5-methyl-2-propan-2-yloxypyridine;2-methylpyridine;4-methylpyridine;5-methyl-2-(2,2,2-trifluoroethoxy)pyridine;5-methyl-2-(trifluoromethyl)pyridine
SMILESCCOc1ccc(C)cn1.COc1ccc(C)cn1.Cc1cc(Cl)nc(Cl)c1.Cc1ccc(Br)nc1.Cc1ccc(C(F)(F)F)nc1.Cc1ccc(Cl)cn1.Cc1ccc(Cl)nc1.Cc1ccc(Cl)nc1Cl.Cc1ccc(F)nc1.Cc1ccc(OC(C)C)nc1.Cc1ccc(OCC(F)(F)F)nc1.Cc1cccc(Cl)n1.Cc1ccccn1.Cc1cccnc1C.Cc1cccnc1Cl.Cc1ccnc(Cl)c1.Cc1ccnc(F)c1.Cc1ccncc1.Cc1cncc(Cl)c1.Cc1cnccc1Cl
InChIInChI=1S/C9H13NO.C8H8F3NO.C8H11NO.C7H6F3N.C7H9NO.C7H9N.C6H6BrN.2C6H5Cl2N.7C6H6ClN.2C6H6FN.2C6H7N/c1-7(2)11-9-5-4-8(3)6-10-9;1-6-2-3-7(12-4-6)13-5-8(9,10)11;1-3-10-8-5-4-7(2)6-9-8;1-5-2-3-6(11-4-5)7(8,9)10;1-6-3-4-7(9-2)8-5-6;1-6-4-3-5-8-7(6)2;1-5-2-3-6(7)8-4-5;1-4-2-5(7)9-6(8)3-4;1-4-2-3-5(7)9-6(4)8;1-5-2-6(7)4-8-3-5;1-5-4-8-3-2-6(5)7;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;1-5-3-2-4-8-6(5)7;1-5-3-2-4-6(7)8-5;1-5-2-3-8-6(7)4-5;1-5-2-3-6(7)8-4-5;1-6-2-4-7-5-3-6;1-6-4-2-3-5-7-6/h4-7H,1-3H3;2-4H,5H2,1H3;4-6H,3H2,1-2H3;2-4H,1H3;3-5H,1-2H3;3-5H,1-2H3;2-4H,1H3;2*2-3H,1H3;9*2-4H,1H3;2*2-5H,1H3
InChIKeyLNPYDKIGQHJDCU-UHFFFAOYSA-N
XLogP39.49
TPSA294.72 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds7
Heavy Atoms174
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002668.56
LogP ≤ 539.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

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

Analyze 2-bromo-5-methylpyridine;2-chloro-3-methylpyridine;2-chloro-4-methylpyridine;2-chloro-5-methylpyridine;2-chloro-6-methylpyridine;3-chloro-5-methylpyridine;4-chloro-3-methylpyridine;5-chloro-2-methylpyridine;2,6-dichloro-3-methylpyridine;2,6-dichloro-4-methylpyridine;2,3-dimethylpyridine;2-ethoxy-5-methylpyridine;2-fluoro-4-methylpyridine;2-fluoro-5-methylpyridine;2-methoxy-5-methylpyridine;5-methyl-2-propan-2-yloxypyridine;2-methylpyridine;4-methylpyridine;5-methyl-2-(2,2,2-trifluoroethoxy)pyridine;5-methyl-2-(trifluoromethyl)pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-methylpyridine;2-chloro-3-methylpyridine;2-chloro-4-methylpyridine;2-chloro-5-methylpyridine;2-chloro-6-methylpyridine;3-chloro-5-methylpyridine;4-chloro-3-methylpyridine;5-chloro-2-methylpyridine;2,6-dichloro-3-methylpyridine;2,6-dichloro-4-methylpyridine;2,3-dimethylpyridine;2-ethoxy-5-methylpyridine;2-fluoro-4-methylpyridine;2-fluoro-5-methylpyridine;2-methoxy-5-methylpyridine;5-methyl-2-propan-2-yloxypyridine;2-methylpyridine;4-methylpyridine;5-methyl-2-(2,2,2-trifluoroethoxy)pyridine;5-methyl-2-(trifluoromethyl)pyridine?
The IUPAC name of 2-bromo-5-methylpyridine;2-chloro-3-methylpyridine;2-chloro-4-methylpyridine;2-chloro-5-methylpyridine;2-chloro-6-methylpyridine;3-chloro-5-methylpyridine;4-chloro-3-methylpyridine;5-chloro-2-methylpyridine;2,6-dichloro-3-methylpyridine;2,6-dichloro-4-methylpyridine;2,3-dimethylpyridine;2-ethoxy-5-methylpyridine;2-fluoro-4-methylpyridine;2-fluoro-5-methylpyridine;2-methoxy-5-methylpyridine;5-methyl-2-propan-2-yloxypyridine;2-methylpyridine;4-methylpyridine;5-methyl-2-(2,2,2-trifluoroethoxy)pyridine;5-methyl-2-(trifluoromethyl)pyridine (CID 159403275) is 2-bromo-5-methylpyridine;2-chloro-3-methylpyridine;2-chloro-4-methylpyridine;2-chloro-5-methylpyridine;2-chloro-6-methylpyridine;3-chloro-5-methylpyridine;4-chloro-3-methylpyridine;5-chloro-2-methylpyridine;2,6-dichloro-3-methylpyridine;2,6-dichloro-4-methylpyridine;2,3-dimethylpyridine;2-ethoxy-5-methylpyridine;2-fluoro-4-methylpyridine;2-fluoro-5-methylpyridine;2-methoxy-5-methylpyridine;5-methyl-2-propan-2-yloxypyridine;2-methylpyridine;4-methylpyridine;5-methyl-2-(2,2,2-trifluoroethoxy)pyridine;5-methyl-2-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-bromo-5-methylpyridine;2-chloro-3-methylpyridine;2-chloro-4-methylpyridine;2-chloro-5-methylpyridine;2-chloro-6-methylpyridine;3-chloro-5-methylpyridine;4-chloro-3-methylpyridine;5-chloro-2-methylpyridine;2,6-dichloro-3-methylpyridine;2,6-dichloro-4-methylpyridine;2,3-dimethylpyridine;2-ethoxy-5-methylpyridine;2-fluoro-4-methylpyridine;2-fluoro-5-methylpyridine;2-methoxy-5-methylpyridine;5-methyl-2-propan-2-yloxypyridine;2-methylpyridine;4-methylpyridine;5-methyl-2-(2,2,2-trifluoroethoxy)pyridine;5-methyl-2-(trifluoromethyl)pyridine?
The canonical SMILES for 2-bromo-5-methylpyridine;2-chloro-3-methylpyridine;2-chloro-4-methylpyridine;2-chloro-5-methylpyridine;2-chloro-6-methylpyridine;3-chloro-5-methylpyridine;4-chloro-3-methylpyridine;5-chloro-2-methylpyridine;2,6-dichloro-3-methylpyridine;2,6-dichloro-4-methylpyridine;2,3-dimethylpyridine;2-ethoxy-5-methylpyridine;2-fluoro-4-methylpyridine;2-fluoro-5-methylpyridine;2-methoxy-5-methylpyridine;5-methyl-2-propan-2-yloxypyridine;2-methylpyridine;4-methylpyridine;5-methyl-2-(2,2,2-trifluoroethoxy)pyridine;5-methyl-2-(trifluoromethyl)pyridine is CCOc1ccc(C)cn1.COc1ccc(C)cn1.Cc1cc(Cl)nc(Cl)c1.Cc1ccc(Br)nc1.Cc1ccc(C(F)(F)F)nc1.Cc1ccc(Cl)cn1.Cc1ccc(Cl)nc1.Cc1ccc(Cl)nc1Cl.Cc1ccc(F)nc1.Cc1ccc(OC(C)C)nc1.Cc1ccc(OCC(F)(F)F)nc1.Cc1cccc(Cl)n1.Cc1ccccn1.Cc1cccnc1C.Cc1cccnc1Cl.Cc1ccnc(Cl)c1.Cc1ccnc(F)c1.Cc1ccncc1.Cc1cncc(Cl)c1.Cc1cnccc1Cl.
What is the InChIKey of 2-bromo-5-methylpyridine;2-chloro-3-methylpyridine;2-chloro-4-methylpyridine;2-chloro-5-methylpyridine;2-chloro-6-methylpyridine;3-chloro-5-methylpyridine;4-chloro-3-methylpyridine;5-chloro-2-methylpyridine;2,6-dichloro-3-methylpyridine;2,6-dichloro-4-methylpyridine;2,3-dimethylpyridine;2-ethoxy-5-methylpyridine;2-fluoro-4-methylpyridine;2-fluoro-5-methylpyridine;2-methoxy-5-methylpyridine;5-methyl-2-propan-2-yloxypyridine;2-methylpyridine;4-methylpyridine;5-methyl-2-(2,2,2-trifluoroethoxy)pyridine;5-methyl-2-(trifluoromethyl)pyridine?
The InChIKey is LNPYDKIGQHJDCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO.C8H8F3NO.C8H11NO.C7H6F3N.C7H9NO.C7H9N.C6H6BrN.2C6H5Cl2N.7C6H6ClN.2C6H6FN.2C6H7N/c1-7(2)11-9-5-4-8(3)6-10-9;1-6-2-3-7(12-4-6)13-5-8(9,10)11;1-3-10-8-5-4-7(2)6-9-8;1-5-2-3-6(11-4-5)7(8,9)10;1-6-3-4-7(9-2)8-5-6;1-6-4-3-5-8-7(6)2;1-5-2-3-6(7)8-4-5;1-4-2-5(7)9-6(8)3-4;1-4-2-3-5(7)9-6(4)8;1-5-2-6(7)4-8-3-5;1-5-4-8-3-2-6(5)7;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;1-5-3-2-4-8-6(5)7;1-5-3-2-4-6(7)8-5;1-5-2-3-8-6(7)4-5;1-5-2-3-6(7)8-4-5;1-6-2-4-7-5-3-6;1-6-4-2-3-5-7-6/h4-7H,1-3H3;2-4H,5H2,1H3;4-6H,3H2,1-2H3;2-4H,1H3;3-5H,1-2H3;3-5H,1-2H3;2-4H,1H3;2*2-3H,1H3;9*2-4H,1H3;2*2-5H,1H3.
What are the key properties of 2-bromo-5-methylpyridine;2-chloro-3-methylpyridine;2-chloro-4-methylpyridine;2-chloro-5-methylpyridine;2-chloro-6-methylpyridine;3-chloro-5-methylpyridine;4-chloro-3-methylpyridine;5-chloro-2-methylpyridine;2,6-dichloro-3-methylpyridine;2,6-dichloro-4-methylpyridine;2,3-dimethylpyridine;2-ethoxy-5-methylpyridine;2-fluoro-4-methylpyridine;2-fluoro-5-methylpyridine;2-methoxy-5-methylpyridine;5-methyl-2-propan-2-yloxypyridine;2-methylpyridine;4-methylpyridine;5-methyl-2-(2,2,2-trifluoroethoxy)pyridine;5-methyl-2-(trifluoromethyl)pyridine?
2-bromo-5-methylpyridine;2-chloro-3-methylpyridine;2-chloro-4-methylpyridine;2-chloro-5-methylpyridine;2-chloro-6-methylpyridine;3-chloro-5-methylpyridine;4-chloro-3-methylpyridine;5-chloro-2-methylpyridine;2,6-dichloro-3-methylpyridine;2,6-dichloro-4-methylpyridine;2,3-dimethylpyridine;2-ethoxy-5-methylpyridine;2-fluoro-4-methylpyridine;2-fluoro-5-methylpyridine;2-methoxy-5-methylpyridine;5-methyl-2-propan-2-yloxypyridine;2-methylpyridine;4-methylpyridine;5-methyl-2-(2,2,2-trifluoroethoxy)pyridine;5-methyl-2-(trifluoromethyl)pyridine has a molecular weight of 2668.56 g/mol, XLogP of 39.49, 7 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-methylpyridine;2-chloro-3-methylpyridine;2-chloro-4-methylpyridine;2-chloro-5-methylpyridine;2-chloro-6-methylpyridine;3-chloro-5-methylpyridine;4-chloro-3-methylpyridine;5-chloro-2-methylpyridine;2,6-dichloro-3-methylpyridine;2,6-dichloro-4-methylpyridine;2,3-dimethylpyridine;2-ethoxy-5-methylpyridine;2-fluoro-4-methylpyridine;2-fluoro-5-methylpyridine;2-methoxy-5-methylpyridine;5-methyl-2-propan-2-yloxypyridine;2-methylpyridine;4-methylpyridine;5-methyl-2-(2,2,2-trifluoroethoxy)pyridine;5-methyl-2-(trifluoromethyl)pyridine is sourced from PubChem (CID 159403275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).