1-(5-fluoro-2-pyridinyl)indole-5-carboxylic acid;1-pyridin-2-ylindole-5-carboxylic acid;1-pyrimidin-5-ylindole-5-carboxylic acid;1-[5-(trifluoromethyl)-2-pyridinyl]indole-5-carboxylic acid;1-[6-(trifluoromethyl)-3-pyridinyl]indole-5-carboxylic acid

C71H46F7N11O10 — CID 158884022

About 1-(5-fluoro-2-pyridinyl)indole-5-carboxylic acid;1-pyridin-2-ylindole-5-carboxylic acid;1-pyrimidin-5-ylindole-5-carboxylic acid;1-[5-(trifluoromethyl)-2-pyridinyl]indole-5-carboxylic acid;1-[6-(trifluoromethyl)-3-pyridinyl]indole-5-carboxylic acid

1-(5-fluoro-2-pyridinyl)indole-5-carboxylic acid;1-pyridin-2-ylindole-5-carboxylic acid;1-pyrimidin-5-ylindole-5-carboxylic acid;1-[5-(trifluoromethyl)-2-pyridinyl]indole-5-carboxylic acid;1-[6-(trifluoromethyl)-3-pyridinyl]indole-5-carboxylic acid (PubChem CID 158884022) has the molecular formula C71H46F7N11O10 and a molecular weight of 1346.20 g/mol. Its IUPAC name is 1-(5-fluoro-2-pyridinyl)indole-5-carboxylic acid;1-pyridin-2-ylindole-5-carboxylic acid;1-pyrimidin-5-ylindole-5-carboxylic acid;1-[5-(trifluoromethyl)-2-pyridinyl]indole-5-carboxylic acid;1-[6-(trifluoromethyl)-3-pyridinyl]indole-5-carboxylic acid.

Molecular Properties

• Compound Name: 1-(5-fluoro-2-pyridinyl)indole-5-carboxylic acid;1-pyridin-2-ylindole-5-carboxylic acid;1-pyrimidin-5-ylindole-5-carboxylic acid;1-[5-(trifluoromethyl)-2-pyridinyl]indole-5-carboxylic acid;1-[6-(trifluoromethyl)-3-pyridinyl]indole-5-carboxylic acid
• PubChem CID: 158884022
• Molecular Formula: C71H46F7N11O10
• Molecular Weight: 1346.20 g/mol
• Exact Mass: 1345.33
• IUPAC Name: 1-(5-fluoro-2-pyridinyl)indole-5-carboxylic acid;1-pyridin-2-ylindole-5-carboxylic acid;1-pyrimidin-5-ylindole-5-carboxylic acid;1-[5-(trifluoromethyl)-2-pyridinyl]indole-5-carboxylic acid;1-[6-(trifluoromethyl)-3-pyridinyl]indole-5-carboxylic acid
• SMILES: O=C(O)c1ccc2c(ccn2-c2ccc(C(F)(F)F)cn2)c1.O=C(O)c1ccc2c(ccn2-c2ccc(C(F)(F)F)nc2)c1.O=C(O)c1ccc2c(ccn2-c2ccc(F)cn2)c1.O=C(O)c1ccc2c(ccn2-c2ccccn2)c1.O=C(O)c1ccc2c(ccn2-c2cncnc2)c1
• InChI: InChI=1S/2C15H9F3N2O2.C14H9FN2O2.C14H10N2O2.C13H9N3O2/c16-15(17,18)13-4-2-11(8-19-13)20-6-5-9-7-10(14(21)22)1-3-12(9)20;16-15(17,18)11-2-4-13(19-8-11)20-6-5-9-7-10(14(21)22)1-3-12(9)20;15-11-2-4-13(16-8-11)17-6-5-9-7-10(14(18)19)1-3-12(9)17;17-14(18)11-4-5-12-10(9-11)6-8-16(12)13-3-1-2-7-15-13;17-13(18)10-1-2-12-9(5-10)3-4-16(12)11-6-14-8-15-7-11/h2*1-8H,(H,21,22);1-8H,(H,18,19);1-9H,(H,17,18);1-8H,(H,17,18)
• InChIKey: JDJRDEOAWZJBKX-UHFFFAOYSA-N
• XLogP: 15.19
• TPSA: 288.49 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 16
• Rotatable Bonds: 10
• Heavy Atoms: 99
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1346.20
LogP ≤ 5	15.19
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-pyridinyl)indole-5-carboxylic acid;1-pyridin-2-ylindole-5-carboxylic acid;1-pyrimidin-5-ylindole-5-carboxylic acid;1-[5-(trifluoromethyl)-2-pyridinyl]indole-5-carboxylic acid;1-[6-(trifluoromethyl)-3-pyridinyl]indole-5-carboxylic acid?

The IUPAC name of 1-(5-fluoro-2-pyridinyl)indole-5-carboxylic acid;1-pyridin-2-ylindole-5-carboxylic acid;1-pyrimidin-5-ylindole-5-carboxylic acid;1-[5-(trifluoromethyl)-2-pyridinyl]indole-5-carboxylic acid;1-[6-(trifluoromethyl)-3-pyridinyl]indole-5-carboxylic acid (CID 158884022) is 1-(5-fluoro-2-pyridinyl)indole-5-carboxylic acid;1-pyridin-2-ylindole-5-carboxylic acid;1-pyrimidin-5-ylindole-5-carboxylic acid;1-[5-(trifluoromethyl)-2-pyridinyl]indole-5-carboxylic acid;1-[6-(trifluoromethyl)-3-pyridinyl]indole-5-carboxylic acid.

What is the SMILES notation for 1-(5-fluoro-2-pyridinyl)indole-5-carboxylic acid;1-pyridin-2-ylindole-5-carboxylic acid;1-pyrimidin-5-ylindole-5-carboxylic acid;1-[5-(trifluoromethyl)-2-pyridinyl]indole-5-carboxylic acid;1-[6-(trifluoromethyl)-3-pyridinyl]indole-5-carboxylic acid?

The canonical SMILES for 1-(5-fluoro-2-pyridinyl)indole-5-carboxylic acid;1-pyridin-2-ylindole-5-carboxylic acid;1-pyrimidin-5-ylindole-5-carboxylic acid;1-[5-(trifluoromethyl)-2-pyridinyl]indole-5-carboxylic acid;1-[6-(trifluoromethyl)-3-pyridinyl]indole-5-carboxylic acid is O=C(O)c1ccc2c(ccn2-c2ccc(C(F)(F)F)cn2)c1.O=C(O)c1ccc2c(ccn2-c2ccc(C(F)(F)F)nc2)c1.O=C(O)c1ccc2c(ccn2-c2ccc(F)cn2)c1.O=C(O)c1ccc2c(ccn2-c2ccccn2)c1.O=C(O)c1ccc2c(ccn2-c2cncnc2)c1.

What is the InChIKey of 1-(5-fluoro-2-pyridinyl)indole-5-carboxylic acid;1-pyridin-2-ylindole-5-carboxylic acid;1-pyrimidin-5-ylindole-5-carboxylic acid;1-[5-(trifluoromethyl)-2-pyridinyl]indole-5-carboxylic acid;1-[6-(trifluoromethyl)-3-pyridinyl]indole-5-carboxylic acid?

The InChIKey is JDJRDEOAWZJBKX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C15H9F3N2O2.C14H9FN2O2.C14H10N2O2.C13H9N3O2/c16-15(17,18)13-4-2-11(8-19-13)20-6-5-9-7-10(14(21)22)1-3-12(9)20;16-15(17,18)11-2-4-13(19-8-11)20-6-5-9-7-10(14(21)22)1-3-12(9)20;15-11-2-4-13(16-8-11)17-6-5-9-7-10(14(18)19)1-3-12(9)17;17-14(18)11-4-5-12-10(9-11)6-8-16(12)13-3-1-2-7-15-13;17-13(18)10-1-2-12-9(5-10)3-4-16(12)11-6-14-8-15-7-11/h2*1-8H,(H,21,22);1-8H,(H,18,19);1-9H,(H,17,18);1-8H,(H,17,18).

What are the key properties of 1-(5-fluoro-2-pyridinyl)indole-5-carboxylic acid;1-pyridin-2-ylindole-5-carboxylic acid;1-pyrimidin-5-ylindole-5-carboxylic acid;1-[5-(trifluoromethyl)-2-pyridinyl]indole-5-carboxylic acid;1-[6-(trifluoromethyl)-3-pyridinyl]indole-5-carboxylic acid?

1-(5-fluoro-2-pyridinyl)indole-5-carboxylic acid;1-pyridin-2-ylindole-5-carboxylic acid;1-pyrimidin-5-ylindole-5-carboxylic acid;1-[5-(trifluoromethyl)-2-pyridinyl]indole-5-carboxylic acid;1-[6-(trifluoromethyl)-3-pyridinyl]indole-5-carboxylic acid has a molecular weight of 1346.20 g/mol, XLogP of 15.19, 10 rotatable bonds, 5 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(5-fluoro-2-pyridinyl)indole-5-carboxylic acid;1-pyridin-2-ylindole-5-carboxylic acid;1-pyrimidin-5-ylindole-5-carboxylic acid;1-[5-(trifluoromethyl)-2-pyridinyl]indole-5-carboxylic acid;1-[6-(trifluoromethyl)-3-pyridinyl]indole-5-carboxylic acid is sourced from PubChem (CID 158884022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).