2-(2-chloro-3-pyridinyl)-1,3-benzoxazole-6-carboxylic acid;2-(2-chloro-4-pyridinyl)-1,3-benzoxazole-6-carboxylic acid;2-(6-chloro-3-pyridinyl)-1,3-benzoxazole-6-carboxylic acid;2-(2,6-dichloro-4-pyridinyl)-1,3-benzoxazole-6-carboxylic acid;2-(2-methyl-3-pyridinyl)-1,3-benzoxazole-6-carboxylic acid;2-pyridin-4-yl-1,3-benzoxazole-6-carboxylic acid;2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-benzoxazole-6-carboxylic acid

C93H52Cl5F3N14O21 — CID 159493243

About 2-(2-chloro-3-pyridinyl)-1,3-benzoxazole-6-carboxylic acid;2-(2-chloro-4-pyridinyl)-1,3-benzoxazole-6-carboxylic acid;2-(6-chloro-3-pyridinyl)-1,3-benzoxazole-6-carboxylic acid;2-(2,6-dichloro-4-pyridinyl)-1,3-benzoxazole-6-carboxylic acid;2-(2-methyl-3-pyridinyl)-1,3-benzoxazole-6-carboxylic acid;2-pyridin-4-yl-1,3-benzoxazole-6-carboxylic acid;2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-benzoxazole-6-carboxylic acid

2-(2-chloro-3-pyridinyl)-1,3-benzoxazole-6-carboxylic acid;2-(2-chloro-4-pyridinyl)-1,3-benzoxazole-6-carboxylic acid;2-(6-chloro-3-pyridinyl)-1,3-benzoxazole-6-carboxylic acid;2-(2,6-dichloro-4-pyridinyl)-1,3-benzoxazole-6-carboxylic acid;2-(2-methyl-3-pyridinyl)-1,3-benzoxazole-6-carboxylic acid;2-pyridin-4-yl-1,3-benzoxazole-6-carboxylic acid;2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-benzoxazole-6-carboxylic acid (PubChem CID 159493243) has the molecular formula C93H52Cl5F3N14O21 and a molecular weight of 1935.77 g/mol. Its IUPAC name is 2-(2-chloro-3-pyridinyl)-1,3-benzoxazole-6-carboxylic acid;2-(2-chloro-4-pyridinyl)-1,3-benzoxazole-6-carboxylic acid;2-(6-chloro-3-pyridinyl)-1,3-benzoxazole-6-carboxylic acid;2-(2,6-dichloro-4-pyridinyl)-1,3-benzoxazole-6-carboxylic acid;2-(2-methyl-3-pyridinyl)-1,3-benzoxazole-6-carboxylic acid;2-pyridin-4-yl-1,3-benzoxazole-6-carboxylic acid;2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-benzoxazole-6-carboxylic acid.

Molecular Properties

• Compound Name: 2-(2-chloro-3-pyridinyl)-1,3-benzoxazole-6-carboxylic acid;2-(2-chloro-4-pyridinyl)-1,3-benzoxazole-6-carboxylic acid;2-(6-chloro-3-pyridinyl)-1,3-benzoxazole-6-carboxylic acid;2-(2,6-dichloro-4-pyridinyl)-1,3-benzoxazole-6-carboxylic acid;2-(2-methyl-3-pyridinyl)-1,3-benzoxazole-6-carboxylic acid;2-pyridin-4-yl-1,3-benzoxazole-6-carboxylic acid;2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-benzoxazole-6-carboxylic acid
• PubChem CID: 159493243
• Molecular Formula: C93H52Cl5F3N14O21
• Molecular Weight: 1935.77 g/mol
• Exact Mass: 1932.18
• IUPAC Name: 2-(2-chloro-3-pyridinyl)-1,3-benzoxazole-6-carboxylic acid;2-(2-chloro-4-pyridinyl)-1,3-benzoxazole-6-carboxylic acid;2-(6-chloro-3-pyridinyl)-1,3-benzoxazole-6-carboxylic acid;2-(2,6-dichloro-4-pyridinyl)-1,3-benzoxazole-6-carboxylic acid;2-(2-methyl-3-pyridinyl)-1,3-benzoxazole-6-carboxylic acid;2-pyridin-4-yl-1,3-benzoxazole-6-carboxylic acid;2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-benzoxazole-6-carboxylic acid
• SMILES: Cc1ncccc1-c1nc2ccc(C(=O)O)cc2o1.O=C(O)c1ccc2nc(-c3cc(Cl)nc(Cl)c3)oc2c1.O=C(O)c1ccc2nc(-c3ccc(C(F)(F)F)nc3)oc2c1.O=C(O)c1ccc2nc(-c3ccc(Cl)nc3)oc2c1.O=C(O)c1ccc2nc(-c3cccnc3Cl)oc2c1.O=C(O)c1ccc2nc(-c3ccnc(Cl)c3)oc2c1.O=C(O)c1ccc2nc(-c3ccncc3)oc2c1
• InChI: InChI=1S/C14H7F3N2O3.C14H10N2O3.C13H6Cl2N2O3.3C13H7ClN2O3.C13H8N2O3/c15-14(16,17)11-4-2-8(6-18-11)12-19-9-3-1-7(13(20)21)5-10(9)22-12;1-8-10(3-2-6-15-8)13-16-11-5-4-9(14(17)18)7-12(11)19-13;14-10-4-7(5-11(15)17-10)12-16-8-2-1-6(13(18)19)3-9(8)20-12;14-11-4-2-8(6-15-11)12-16-9-3-1-7(13(17)18)5-10(9)19-12;14-11-6-7(3-4-15-11)12-16-9-2-1-8(13(17)18)5-10(9)19-12;14-11-8(2-1-5-15-11)12-16-9-4-3-7(13(17)18)6-10(9)19-12;16-13(17)9-1-2-10-11(7-9)18-12(15-10)8-3-5-14-6-4-8/h1-6H,(H,20,21);2-7H,1H3,(H,17,18);1-5H,(H,18,19);3*1-6H,(H,17,18);1-7H,(H,16,17)
• InChIKey: LYLOKYSYGAOXDV-UHFFFAOYSA-N
• XLogP: 22.71
• TPSA: 533.54 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 28
• Rotatable Bonds: 14
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1935.77
LogP ≤ 5	22.71
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-3-pyridinyl)-1,3-benzoxazole-6-carboxylic acid;2-(2-chloro-4-pyridinyl)-1,3-benzoxazole-6-carboxylic acid;2-(6-chloro-3-pyridinyl)-1,3-benzoxazole-6-carboxylic acid;2-(2,6-dichloro-4-pyridinyl)-1,3-benzoxazole-6-carboxylic acid;2-(2-methyl-3-pyridinyl)-1,3-benzoxazole-6-carboxylic acid;2-pyridin-4-yl-1,3-benzoxazole-6-carboxylic acid;2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-benzoxazole-6-carboxylic acid?

The IUPAC name of 2-(2-chloro-3-pyridinyl)-1,3-benzoxazole-6-carboxylic acid;2-(2-chloro-4-pyridinyl)-1,3-benzoxazole-6-carboxylic acid;2-(6-chloro-3-pyridinyl)-1,3-benzoxazole-6-carboxylic acid;2-(2,6-dichloro-4-pyridinyl)-1,3-benzoxazole-6-carboxylic acid;2-(2-methyl-3-pyridinyl)-1,3-benzoxazole-6-carboxylic acid;2-pyridin-4-yl-1,3-benzoxazole-6-carboxylic acid;2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-benzoxazole-6-carboxylic acid (CID 159493243) is 2-(2-chloro-3-pyridinyl)-1,3-benzoxazole-6-carboxylic acid;2-(2-chloro-4-pyridinyl)-1,3-benzoxazole-6-carboxylic acid;2-(6-chloro-3-pyridinyl)-1,3-benzoxazole-6-carboxylic acid;2-(2,6-dichloro-4-pyridinyl)-1,3-benzoxazole-6-carboxylic acid;2-(2-methyl-3-pyridinyl)-1,3-benzoxazole-6-carboxylic acid;2-pyridin-4-yl-1,3-benzoxazole-6-carboxylic acid;2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-benzoxazole-6-carboxylic acid.

What is the SMILES notation for 2-(2-chloro-3-pyridinyl)-1,3-benzoxazole-6-carboxylic acid;2-(2-chloro-4-pyridinyl)-1,3-benzoxazole-6-carboxylic acid;2-(6-chloro-3-pyridinyl)-1,3-benzoxazole-6-carboxylic acid;2-(2,6-dichloro-4-pyridinyl)-1,3-benzoxazole-6-carboxylic acid;2-(2-methyl-3-pyridinyl)-1,3-benzoxazole-6-carboxylic acid;2-pyridin-4-yl-1,3-benzoxazole-6-carboxylic acid;2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-benzoxazole-6-carboxylic acid?

The canonical SMILES for 2-(2-chloro-3-pyridinyl)-1,3-benzoxazole-6-carboxylic acid;2-(2-chloro-4-pyridinyl)-1,3-benzoxazole-6-carboxylic acid;2-(6-chloro-3-pyridinyl)-1,3-benzoxazole-6-carboxylic acid;2-(2,6-dichloro-4-pyridinyl)-1,3-benzoxazole-6-carboxylic acid;2-(2-methyl-3-pyridinyl)-1,3-benzoxazole-6-carboxylic acid;2-pyridin-4-yl-1,3-benzoxazole-6-carboxylic acid;2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-benzoxazole-6-carboxylic acid is Cc1ncccc1-c1nc2ccc(C(=O)O)cc2o1.O=C(O)c1ccc2nc(-c3cc(Cl)nc(Cl)c3)oc2c1.O=C(O)c1ccc2nc(-c3ccc(C(F)(F)F)nc3)oc2c1.O=C(O)c1ccc2nc(-c3ccc(Cl)nc3)oc2c1.O=C(O)c1ccc2nc(-c3cccnc3Cl)oc2c1.O=C(O)c1ccc2nc(-c3ccnc(Cl)c3)oc2c1.O=C(O)c1ccc2nc(-c3ccncc3)oc2c1.

What is the InChIKey of 2-(2-chloro-3-pyridinyl)-1,3-benzoxazole-6-carboxylic acid;2-(2-chloro-4-pyridinyl)-1,3-benzoxazole-6-carboxylic acid;2-(6-chloro-3-pyridinyl)-1,3-benzoxazole-6-carboxylic acid;2-(2,6-dichloro-4-pyridinyl)-1,3-benzoxazole-6-carboxylic acid;2-(2-methyl-3-pyridinyl)-1,3-benzoxazole-6-carboxylic acid;2-pyridin-4-yl-1,3-benzoxazole-6-carboxylic acid;2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-benzoxazole-6-carboxylic acid?

The InChIKey is LYLOKYSYGAOXDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7F3N2O3.C14H10N2O3.C13H6Cl2N2O3.3C13H7ClN2O3.C13H8N2O3/c15-14(16,17)11-4-2-8(6-18-11)12-19-9-3-1-7(13(20)21)5-10(9)22-12;1-8-10(3-2-6-15-8)13-16-11-5-4-9(14(17)18)7-12(11)19-13;14-10-4-7(5-11(15)17-10)12-16-8-2-1-6(13(18)19)3-9(8)20-12;14-11-4-2-8(6-15-11)12-16-9-3-1-7(13(17)18)5-10(9)19-12;14-11-6-7(3-4-15-11)12-16-9-2-1-8(13(17)18)5-10(9)19-12;14-11-8(2-1-5-15-11)12-16-9-4-3-7(13(17)18)6-10(9)19-12;16-13(17)9-1-2-10-11(7-9)18-12(15-10)8-3-5-14-6-4-8/h1-6H,(H,20,21);2-7H,1H3,(H,17,18);1-5H,(H,18,19);3*1-6H,(H,17,18);1-7H,(H,16,17).

What are the key properties of 2-(2-chloro-3-pyridinyl)-1,3-benzoxazole-6-carboxylic acid;2-(2-chloro-4-pyridinyl)-1,3-benzoxazole-6-carboxylic acid;2-(6-chloro-3-pyridinyl)-1,3-benzoxazole-6-carboxylic acid;2-(2,6-dichloro-4-pyridinyl)-1,3-benzoxazole-6-carboxylic acid;2-(2-methyl-3-pyridinyl)-1,3-benzoxazole-6-carboxylic acid;2-pyridin-4-yl-1,3-benzoxazole-6-carboxylic acid;2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-benzoxazole-6-carboxylic acid?

2-(2-chloro-3-pyridinyl)-1,3-benzoxazole-6-carboxylic acid;2-(2-chloro-4-pyridinyl)-1,3-benzoxazole-6-carboxylic acid;2-(6-chloro-3-pyridinyl)-1,3-benzoxazole-6-carboxylic acid;2-(2,6-dichloro-4-pyridinyl)-1,3-benzoxazole-6-carboxylic acid;2-(2-methyl-3-pyridinyl)-1,3-benzoxazole-6-carboxylic acid;2-pyridin-4-yl-1,3-benzoxazole-6-carboxylic acid;2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-benzoxazole-6-carboxylic acid has a molecular weight of 1935.77 g/mol, XLogP of 22.71, 14 rotatable bonds, 7 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-chloro-3-pyridinyl)-1,3-benzoxazole-6-carboxylic acid;2-(2-chloro-4-pyridinyl)-1,3-benzoxazole-6-carboxylic acid;2-(6-chloro-3-pyridinyl)-1,3-benzoxazole-6-carboxylic acid;2-(2,6-dichloro-4-pyridinyl)-1,3-benzoxazole-6-carboxylic acid;2-(2-methyl-3-pyridinyl)-1,3-benzoxazole-6-carboxylic acid;2-pyridin-4-yl-1,3-benzoxazole-6-carboxylic acid;2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-benzoxazole-6-carboxylic acid is sourced from PubChem (CID 159493243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).