1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]indole-5-carboxylic acid;1-(2-fluoro-5-methyl-3-pyridinyl)indole-5-carboxylic acid;1-(2-methyl-4-pyridinyl)indole-5-carboxylic acid;1-(4-methyl-2-pyridinyl)indole-5-carboxylic acid;1-(5-methyl-2-pyridinyl)indole-5-carboxylic acid;1-(6-methyl-2-pyridinyl)indole-5-carboxylic acid;1-(2-methylpyrimidin-4-yl)indole-5-carboxylic acid

C104H78ClF4N15O14 — CID 161126101

About 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]indole-5-carboxylic acid;1-(2-fluoro-5-methyl-3-pyridinyl)indole-5-carboxylic acid;1-(2-methyl-4-pyridinyl)indole-5-carboxylic acid;1-(4-methyl-2-pyridinyl)indole-5-carboxylic acid;1-(5-methyl-2-pyridinyl)indole-5-carboxylic acid;1-(6-methyl-2-pyridinyl)indole-5-carboxylic acid;1-(2-methylpyrimidin-4-yl)indole-5-carboxylic acid

1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]indole-5-carboxylic acid;1-(2-fluoro-5-methyl-3-pyridinyl)indole-5-carboxylic acid;1-(2-methyl-4-pyridinyl)indole-5-carboxylic acid;1-(4-methyl-2-pyridinyl)indole-5-carboxylic acid;1-(5-methyl-2-pyridinyl)indole-5-carboxylic acid;1-(6-methyl-2-pyridinyl)indole-5-carboxylic acid;1-(2-methylpyrimidin-4-yl)indole-5-carboxylic acid (PubChem CID 161126101) has the molecular formula C104H78ClF4N15O14 and a molecular weight of 1873.30 g/mol. Its IUPAC name is 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]indole-5-carboxylic acid;1-(2-fluoro-5-methyl-3-pyridinyl)indole-5-carboxylic acid;1-(2-methyl-4-pyridinyl)indole-5-carboxylic acid;1-(4-methyl-2-pyridinyl)indole-5-carboxylic acid;1-(5-methyl-2-pyridinyl)indole-5-carboxylic acid;1-(6-methyl-2-pyridinyl)indole-5-carboxylic acid;1-(2-methylpyrimidin-4-yl)indole-5-carboxylic acid.

Molecular Properties

• Compound Name: 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]indole-5-carboxylic acid;1-(2-fluoro-5-methyl-3-pyridinyl)indole-5-carboxylic acid;1-(2-methyl-4-pyridinyl)indole-5-carboxylic acid;1-(4-methyl-2-pyridinyl)indole-5-carboxylic acid;1-(5-methyl-2-pyridinyl)indole-5-carboxylic acid;1-(6-methyl-2-pyridinyl)indole-5-carboxylic acid;1-(2-methylpyrimidin-4-yl)indole-5-carboxylic acid
• PubChem CID: 161126101
• Molecular Formula: C104H78ClF4N15O14
• Molecular Weight: 1873.30 g/mol
• Exact Mass: 1871.55
• IUPAC Name: 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]indole-5-carboxylic acid;1-(2-fluoro-5-methyl-3-pyridinyl)indole-5-carboxylic acid;1-(2-methyl-4-pyridinyl)indole-5-carboxylic acid;1-(4-methyl-2-pyridinyl)indole-5-carboxylic acid;1-(5-methyl-2-pyridinyl)indole-5-carboxylic acid;1-(6-methyl-2-pyridinyl)indole-5-carboxylic acid;1-(2-methylpyrimidin-4-yl)indole-5-carboxylic acid
• SMILES: Cc1cc(-n2ccc3cc(C(=O)O)ccc32)ccn1.Cc1ccc(-n2ccc3cc(C(=O)O)ccc32)nc1.Cc1cccc(-n2ccc3cc(C(=O)O)ccc32)n1.Cc1ccnc(-n2ccc3cc(C(=O)O)ccc32)c1.Cc1cnc(F)c(-n2ccc3cc(C(=O)O)ccc32)c1.Cc1nccc(-n2ccc3cc(C(=O)O)ccc32)n1.O=C(O)c1ccc2c(ccn2-c2ncc(C(F)(F)F)cc2Cl)c1
• InChI: InChI=1S/C15H8ClF3N2O2.C15H11FN2O2.4C15H12N2O2.C14H11N3O2/c16-11-6-10(15(17,18)19)7-20-13(11)21-4-3-8-5-9(14(22)23)1-2-12(8)21;1-9-6-13(14(16)17-8-9)18-5-4-10-7-11(15(19)20)2-3-12(10)18;1-10-2-5-14(16-9-10)17-7-6-11-8-12(15(18)19)3-4-13(11)17;1-10-8-13(4-6-16-10)17-7-5-11-9-12(15(18)19)2-3-14(11)17;1-10-4-6-16-14(8-10)17-7-5-11-9-12(15(18)19)2-3-13(11)17;1-10-3-2-4-14(16-10)17-8-7-11-9-12(15(18)19)5-6-13(11)17;1-9-15-6-4-13(16-9)17-7-5-10-8-11(14(18)19)2-3-12(10)17/h1-7H,(H,22,23);2-8H,1H3,(H,19,20);4*2-9H,1H3,(H,18,19);2-8H,1H3,(H,18,19)
• InChIKey: ULOQCGIKZQYEKP-UHFFFAOYSA-N
• XLogP: 22.12
• TPSA: 398.73 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 22
• Rotatable Bonds: 14
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1873.30
LogP ≤ 5	22.12
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]indole-5-carboxylic acid;1-(2-fluoro-5-methyl-3-pyridinyl)indole-5-carboxylic acid;1-(2-methyl-4-pyridinyl)indole-5-carboxylic acid;1-(4-methyl-2-pyridinyl)indole-5-carboxylic acid;1-(5-methyl-2-pyridinyl)indole-5-carboxylic acid;1-(6-methyl-2-pyridinyl)indole-5-carboxylic acid;1-(2-methylpyrimidin-4-yl)indole-5-carboxylic acid?

The IUPAC name of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]indole-5-carboxylic acid;1-(2-fluoro-5-methyl-3-pyridinyl)indole-5-carboxylic acid;1-(2-methyl-4-pyridinyl)indole-5-carboxylic acid;1-(4-methyl-2-pyridinyl)indole-5-carboxylic acid;1-(5-methyl-2-pyridinyl)indole-5-carboxylic acid;1-(6-methyl-2-pyridinyl)indole-5-carboxylic acid;1-(2-methylpyrimidin-4-yl)indole-5-carboxylic acid (CID 161126101) is 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]indole-5-carboxylic acid;1-(2-fluoro-5-methyl-3-pyridinyl)indole-5-carboxylic acid;1-(2-methyl-4-pyridinyl)indole-5-carboxylic acid;1-(4-methyl-2-pyridinyl)indole-5-carboxylic acid;1-(5-methyl-2-pyridinyl)indole-5-carboxylic acid;1-(6-methyl-2-pyridinyl)indole-5-carboxylic acid;1-(2-methylpyrimidin-4-yl)indole-5-carboxylic acid.

What is the SMILES notation for 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]indole-5-carboxylic acid;1-(2-fluoro-5-methyl-3-pyridinyl)indole-5-carboxylic acid;1-(2-methyl-4-pyridinyl)indole-5-carboxylic acid;1-(4-methyl-2-pyridinyl)indole-5-carboxylic acid;1-(5-methyl-2-pyridinyl)indole-5-carboxylic acid;1-(6-methyl-2-pyridinyl)indole-5-carboxylic acid;1-(2-methylpyrimidin-4-yl)indole-5-carboxylic acid?

The canonical SMILES for 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]indole-5-carboxylic acid;1-(2-fluoro-5-methyl-3-pyridinyl)indole-5-carboxylic acid;1-(2-methyl-4-pyridinyl)indole-5-carboxylic acid;1-(4-methyl-2-pyridinyl)indole-5-carboxylic acid;1-(5-methyl-2-pyridinyl)indole-5-carboxylic acid;1-(6-methyl-2-pyridinyl)indole-5-carboxylic acid;1-(2-methylpyrimidin-4-yl)indole-5-carboxylic acid is Cc1cc(-n2ccc3cc(C(=O)O)ccc32)ccn1.Cc1ccc(-n2ccc3cc(C(=O)O)ccc32)nc1.Cc1cccc(-n2ccc3cc(C(=O)O)ccc32)n1.Cc1ccnc(-n2ccc3cc(C(=O)O)ccc32)c1.Cc1cnc(F)c(-n2ccc3cc(C(=O)O)ccc32)c1.Cc1nccc(-n2ccc3cc(C(=O)O)ccc32)n1.O=C(O)c1ccc2c(ccn2-c2ncc(C(F)(F)F)cc2Cl)c1.

What is the InChIKey of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]indole-5-carboxylic acid;1-(2-fluoro-5-methyl-3-pyridinyl)indole-5-carboxylic acid;1-(2-methyl-4-pyridinyl)indole-5-carboxylic acid;1-(4-methyl-2-pyridinyl)indole-5-carboxylic acid;1-(5-methyl-2-pyridinyl)indole-5-carboxylic acid;1-(6-methyl-2-pyridinyl)indole-5-carboxylic acid;1-(2-methylpyrimidin-4-yl)indole-5-carboxylic acid?

The InChIKey is ULOQCGIKZQYEKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8ClF3N2O2.C15H11FN2O2.4C15H12N2O2.C14H11N3O2/c16-11-6-10(15(17,18)19)7-20-13(11)21-4-3-8-5-9(14(22)23)1-2-12(8)21;1-9-6-13(14(16)17-8-9)18-5-4-10-7-11(15(19)20)2-3-12(10)18;1-10-2-5-14(16-9-10)17-7-6-11-8-12(15(18)19)3-4-13(11)17;1-10-8-13(4-6-16-10)17-7-5-11-9-12(15(18)19)2-3-14(11)17;1-10-4-6-16-14(8-10)17-7-5-11-9-12(15(18)19)2-3-13(11)17;1-10-3-2-4-14(16-10)17-8-7-11-9-12(15(18)19)5-6-13(11)17;1-9-15-6-4-13(16-9)17-7-5-10-8-11(14(18)19)2-3-12(10)17/h1-7H,(H,22,23);2-8H,1H3,(H,19,20);4*2-9H,1H3,(H,18,19);2-8H,1H3,(H,18,19).

What are the key properties of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]indole-5-carboxylic acid;1-(2-fluoro-5-methyl-3-pyridinyl)indole-5-carboxylic acid;1-(2-methyl-4-pyridinyl)indole-5-carboxylic acid;1-(4-methyl-2-pyridinyl)indole-5-carboxylic acid;1-(5-methyl-2-pyridinyl)indole-5-carboxylic acid;1-(6-methyl-2-pyridinyl)indole-5-carboxylic acid;1-(2-methylpyrimidin-4-yl)indole-5-carboxylic acid?

1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]indole-5-carboxylic acid;1-(2-fluoro-5-methyl-3-pyridinyl)indole-5-carboxylic acid;1-(2-methyl-4-pyridinyl)indole-5-carboxylic acid;1-(4-methyl-2-pyridinyl)indole-5-carboxylic acid;1-(5-methyl-2-pyridinyl)indole-5-carboxylic acid;1-(6-methyl-2-pyridinyl)indole-5-carboxylic acid;1-(2-methylpyrimidin-4-yl)indole-5-carboxylic acid has a molecular weight of 1873.30 g/mol, XLogP of 22.12, 14 rotatable bonds, 7 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]indole-5-carboxylic acid;1-(2-fluoro-5-methyl-3-pyridinyl)indole-5-carboxylic acid;1-(2-methyl-4-pyridinyl)indole-5-carboxylic acid;1-(4-methyl-2-pyridinyl)indole-5-carboxylic acid;1-(5-methyl-2-pyridinyl)indole-5-carboxylic acid;1-(6-methyl-2-pyridinyl)indole-5-carboxylic acid;1-(2-methylpyrimidin-4-yl)indole-5-carboxylic acid is sourced from PubChem (CID 161126101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).