6-[[2-pyridin-3-yl-6-(trifluoromethyl)-1H-indol-3-yl]methyl]pyridine-2-carboxylic acid

C21H14F3N3O2 — CID 69097231

IUPAC6-[[2-pyridin-3-yl-6-(trifluoromethyl)-1H-indol-3-yl]methyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(Cc2c(-c3cccnc3)[nH]c3cc(C(F)(F)F)ccc23)n1
InChIInChI=1S/C21H14F3N3O2/c22-21(23,24)13-6-7-15-16(10-14-4-1-5-17(26-14)20(28)29)19(27-18(15)9-13)12-3-2-8-25-11-12/h1-9,11,27H,10H2,(H,28,29)
InChIKeyRUSYRAIKMRGMET-UHFFFAOYSA-N
MW397.36 g/mol
LogP4.93
Rot. Bonds4

About 6-[[2-pyridin-3-yl-6-(trifluoromethyl)-1H-indol-3-yl]methyl]pyridine-2-carboxylic acid

6-[[2-pyridin-3-yl-6-(trifluoromethyl)-1H-indol-3-yl]methyl]pyridine-2-carboxylic acid (PubChem CID 69097231) has the molecular formula C21H14F3N3O2 and a molecular weight of 397.36 g/mol. Its IUPAC name is 6-[[2-pyridin-3-yl-6-(trifluoromethyl)-1H-indol-3-yl]methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[[2-pyridin-3-yl-6-(trifluoromethyl)-1H-indol-3-yl]methyl]pyridine-2-carboxylic acid
PubChem CID69097231
Molecular FormulaC21H14F3N3O2
Molecular Weight397.36 g/mol
Exact Mass397.10
IUPAC Name6-[[2-pyridin-3-yl-6-(trifluoromethyl)-1H-indol-3-yl]methyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(Cc2c(-c3cccnc3)[nH]c3cc(C(F)(F)F)ccc23)n1
InChIInChI=1S/C21H14F3N3O2/c22-21(23,24)13-6-7-15-16(10-14-4-1-5-17(26-14)20(28)29)19(27-18(15)9-13)12-3-2-8-25-11-12/h1-9,11,27H,10H2,(H,28,29)
InChIKeyRUSYRAIKMRGMET-UHFFFAOYSA-N
XLogP4.93
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.36
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[[2-pyridin-3-yl-6-(trifluoromethyl)-1H-indol-3-yl]methyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[[2-pyridin-3-yl-6-(trifluoromethyl)-1H-indol-3-yl]methyl]pyridine-2-carboxylic acid (CID 69097231) is 6-[[2-pyridin-3-yl-6-(trifluoromethyl)-1H-indol-3-yl]methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[[2-pyridin-3-yl-6-(trifluoromethyl)-1H-indol-3-yl]methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[[2-pyridin-3-yl-6-(trifluoromethyl)-1H-indol-3-yl]methyl]pyridine-2-carboxylic acid is O=C(O)c1cccc(Cc2c(-c3cccnc3)[nH]c3cc(C(F)(F)F)ccc23)n1.
What is the InChIKey of 6-[[2-pyridin-3-yl-6-(trifluoromethyl)-1H-indol-3-yl]methyl]pyridine-2-carboxylic acid?
The InChIKey is RUSYRAIKMRGMET-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F3N3O2/c22-21(23,24)13-6-7-15-16(10-14-4-1-5-17(26-14)20(28)29)19(27-18(15)9-13)12-3-2-8-25-11-12/h1-9,11,27H,10H2,(H,28,29).
What are the key properties of 6-[[2-pyridin-3-yl-6-(trifluoromethyl)-1H-indol-3-yl]methyl]pyridine-2-carboxylic acid?
6-[[2-pyridin-3-yl-6-(trifluoromethyl)-1H-indol-3-yl]methyl]pyridine-2-carboxylic acid has a molecular weight of 397.36 g/mol, XLogP of 4.93, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-pyridin-3-yl-6-(trifluoromethyl)-1H-indol-3-yl]methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 69097231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).