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-[6-(trifluoromethyl)-3-pyridinyl]indole-5-carboxylic acid

C74H56F3N11O10 — CID 158724422

IUPAC1-(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-[6-(trifluoromethyl)-3-pyridinyl]indole-5-carboxylic acid
SMILESCc1ccc(-n2ccc3cc(C(=O)O)ccc32)nc1.Cc1cccc(-n2ccc3cc(C(=O)O)ccc32)n1.Cc1ccnc(-n2ccc3cc(C(=O)O)ccc32)c1.Cc1nccc(-n2ccc3cc(C(=O)O)ccc32)n1.O=C(O)c1ccc2c(ccn2-c2ccc(C(F)(F)F)nc2)c1
InChIInChI=1S/C15H9F3N2O2.3C15H12N2O2.C14H11N3O2/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;1-10-2-5-14(16-9-10)17-7-6-11-8-12(15(18)19)3-4-13(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/h1-8H,(H,21,22);3*2-9H,1H3,(H,18,19);2-8H,1H3,(H,18,19)
InChIKeyIKHVIRXOXSQJKI-UHFFFAOYSA-N
MW1316.32 g/mol
LogP15.27
Rot. Bonds10

About 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-[6-(trifluoromethyl)-3-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-[6-(trifluoromethyl)-3-pyridinyl]indole-5-carboxylic acid (PubChem CID 158724422) has the molecular formula C74H56F3N11O10 and a molecular weight of 1316.32 g/mol. Its IUPAC name is 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-[6-(trifluoromethyl)-3-pyridinyl]indole-5-carboxylic acid.

Molecular Properties

Compound Name1-(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-[6-(trifluoromethyl)-3-pyridinyl]indole-5-carboxylic acid
PubChem CID158724422
Molecular FormulaC74H56F3N11O10
Molecular Weight1316.32 g/mol
Exact Mass1315.42
IUPAC Name1-(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-[6-(trifluoromethyl)-3-pyridinyl]indole-5-carboxylic acid
SMILESCc1ccc(-n2ccc3cc(C(=O)O)ccc32)nc1.Cc1cccc(-n2ccc3cc(C(=O)O)ccc32)n1.Cc1ccnc(-n2ccc3cc(C(=O)O)ccc32)c1.Cc1nccc(-n2ccc3cc(C(=O)O)ccc32)n1.O=C(O)c1ccc2c(ccn2-c2ccc(C(F)(F)F)nc2)c1
InChIInChI=1S/C15H9F3N2O2.3C15H12N2O2.C14H11N3O2/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;1-10-2-5-14(16-9-10)17-7-6-11-8-12(15(18)19)3-4-13(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/h1-8H,(H,21,22);3*2-9H,1H3,(H,18,19);2-8H,1H3,(H,18,19)
InChIKeyIKHVIRXOXSQJKI-UHFFFAOYSA-N
XLogP15.27
TPSA288.49 Ų
H-Bond Donors5
H-Bond Acceptors16
Rotatable Bonds10
Heavy Atoms98
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001316.32
LogP ≤ 515.27
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1016

Analyze 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-[6-(trifluoromethyl)-3-pyridinyl]indole-5-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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-[6-(trifluoromethyl)-3-pyridinyl]indole-5-carboxylic acid?
The IUPAC name of 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-[6-(trifluoromethyl)-3-pyridinyl]indole-5-carboxylic acid (CID 158724422) is 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-[6-(trifluoromethyl)-3-pyridinyl]indole-5-carboxylic acid.
What is the SMILES notation for 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-[6-(trifluoromethyl)-3-pyridinyl]indole-5-carboxylic acid?
The canonical SMILES for 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-[6-(trifluoromethyl)-3-pyridinyl]indole-5-carboxylic acid is Cc1ccc(-n2ccc3cc(C(=O)O)ccc32)nc1.Cc1cccc(-n2ccc3cc(C(=O)O)ccc32)n1.Cc1ccnc(-n2ccc3cc(C(=O)O)ccc32)c1.Cc1nccc(-n2ccc3cc(C(=O)O)ccc32)n1.O=C(O)c1ccc2c(ccn2-c2ccc(C(F)(F)F)nc2)c1.
What is the InChIKey of 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-[6-(trifluoromethyl)-3-pyridinyl]indole-5-carboxylic acid?
The InChIKey is IKHVIRXOXSQJKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F3N2O2.3C15H12N2O2.C14H11N3O2/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;1-10-2-5-14(16-9-10)17-7-6-11-8-12(15(18)19)3-4-13(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/h1-8H,(H,21,22);3*2-9H,1H3,(H,18,19);2-8H,1H3,(H,18,19).
What are the key properties of 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-[6-(trifluoromethyl)-3-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-[6-(trifluoromethyl)-3-pyridinyl]indole-5-carboxylic acid has a molecular weight of 1316.32 g/mol, XLogP of 15.27, 10 rotatable bonds, 5 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 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-[6-(trifluoromethyl)-3-pyridinyl]indole-5-carboxylic acid is sourced from PubChem (CID 158724422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).