5-[1-methyl-7-(trifluoromethyl)indol-2-yl]pyridin-2-amine

C15H12F3N3 — CID 115113640

IUPAC5-[1-methyl-7-(trifluoromethyl)indol-2-yl]pyridin-2-amine
SMILESCn1c(-c2ccc(N)nc2)cc2cccc(C(F)(F)F)c21
InChIInChI=1S/C15H12F3N3/c1-21-12(10-5-6-13(19)20-8-10)7-9-3-2-4-11(14(9)21)15(16,17)18/h2-8H,1H3,(H2,19,20)
InChIKeyDBPJORATQAGOLV-UHFFFAOYSA-N
MW291.28 g/mol
LogP3.84
Rot. Bonds1

About 5-[1-methyl-7-(trifluoromethyl)indol-2-yl]pyridin-2-amine

5-[1-methyl-7-(trifluoromethyl)indol-2-yl]pyridin-2-amine (PubChem CID 115113640) has the molecular formula C15H12F3N3 and a molecular weight of 291.28 g/mol. Its IUPAC name is 5-[1-methyl-7-(trifluoromethyl)indol-2-yl]pyridin-2-amine.

Molecular Properties

Compound Name5-[1-methyl-7-(trifluoromethyl)indol-2-yl]pyridin-2-amine
PubChem CID115113640
Molecular FormulaC15H12F3N3
Molecular Weight291.28 g/mol
Exact Mass291.10
IUPAC Name5-[1-methyl-7-(trifluoromethyl)indol-2-yl]pyridin-2-amine
SMILESCn1c(-c2ccc(N)nc2)cc2cccc(C(F)(F)F)c21
InChIInChI=1S/C15H12F3N3/c1-21-12(10-5-6-13(19)20-8-10)7-9-3-2-4-11(14(9)21)15(16,17)18/h2-8H,1H3,(H2,19,20)
InChIKeyDBPJORATQAGOLV-UHFFFAOYSA-N
XLogP3.84
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.28
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[7-(trifluoromethyl)-1H-indol-2-yl]pyridin-2-amine
CID 115113639
3-[1-methyl-7-(trifluoromethyl)indol-2-yl]propan-1-amine
CID 83919994
5-[4-(trifluoromethyl)-1-benzofuran-2-yl]pyridin-2-amine
CID 115113707
5-(4-bromo-1-methylindol-2-yl)pyridin-2-amine
CID 115113730
8-(trifluoromethyl)isoquinolin-3-amine
CID 71742569
5-[4-fluoro-3-(trifluoromethyl)phenyl]pyridin-2-amine
CID 25184302
1-[1-methyl-7-(trifluoromethyl)indol-2-yl]propan-2-ol
CID 117196538
2-[1-methyl-7-(trifluoromethyl)indol-2-yl]propanoic acid
CID 117196564
2-methyl-2-[1-methyl-7-(trifluoromethyl)indol-2-yl]propanoic acid
CID 117196565
[5-[2-(trifluoromethyl)phenyl]-2-pyridinyl]methanamine
CID 131866305
5-[5-[8-(trifluoromethyl)quinolin-3-yl]thiophen-2-yl]-2H-triazol-4-amine
CID 170148108
1-methyl-7-(trifluoromethyl)indazol-3-amine
CID 53403363

Frequently Asked Questions

What is the IUPAC name of 5-[1-methyl-7-(trifluoromethyl)indol-2-yl]pyridin-2-amine?
The IUPAC name of 5-[1-methyl-7-(trifluoromethyl)indol-2-yl]pyridin-2-amine (CID 115113640) is 5-[1-methyl-7-(trifluoromethyl)indol-2-yl]pyridin-2-amine.
What is the SMILES notation for 5-[1-methyl-7-(trifluoromethyl)indol-2-yl]pyridin-2-amine?
The canonical SMILES for 5-[1-methyl-7-(trifluoromethyl)indol-2-yl]pyridin-2-amine is Cn1c(-c2ccc(N)nc2)cc2cccc(C(F)(F)F)c21.
What is the InChIKey of 5-[1-methyl-7-(trifluoromethyl)indol-2-yl]pyridin-2-amine?
The InChIKey is DBPJORATQAGOLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3N3/c1-21-12(10-5-6-13(19)20-8-10)7-9-3-2-4-11(14(9)21)15(16,17)18/h2-8H,1H3,(H2,19,20).
What are the key properties of 5-[1-methyl-7-(trifluoromethyl)indol-2-yl]pyridin-2-amine?
5-[1-methyl-7-(trifluoromethyl)indol-2-yl]pyridin-2-amine has a molecular weight of 291.28 g/mol, XLogP of 3.84, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-methyl-7-(trifluoromethyl)indol-2-yl]pyridin-2-amine is sourced from PubChem (CID 115113640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).