[2-[6-(trifluoromethyl)-1H-indol-3-yl]-4-pyridinyl]methanamine

C15H12F3N3 — CID 115114098

IUPAC[2-[6-(trifluoromethyl)-1H-indol-3-yl]-4-pyridinyl]methanamine
SMILESNCc1ccnc(-c2c[nH]c3cc(C(F)(F)F)ccc23)c1
InChIInChI=1S/C15H12F3N3/c16-15(17,18)10-1-2-11-12(8-21-14(11)6-10)13-5-9(7-19)3-4-20-13/h1-6,8,21H,7,19H2
InChIKeyYTPBZLNWIGJYNT-UHFFFAOYSA-N
MW291.28 g/mol
LogP3.71
Rot. Bonds2

About [2-[6-(trifluoromethyl)-1H-indol-3-yl]-4-pyridinyl]methanamine

[2-[6-(trifluoromethyl)-1H-indol-3-yl]-4-pyridinyl]methanamine (PubChem CID 115114098) has the molecular formula C15H12F3N3 and a molecular weight of 291.28 g/mol. Its IUPAC name is [2-[6-(trifluoromethyl)-1H-indol-3-yl]-4-pyridinyl]methanamine.

Molecular Properties

Compound Name[2-[6-(trifluoromethyl)-1H-indol-3-yl]-4-pyridinyl]methanamine
PubChem CID115114098
Molecular FormulaC15H12F3N3
Molecular Weight291.28 g/mol
Exact Mass291.10
IUPAC Name[2-[6-(trifluoromethyl)-1H-indol-3-yl]-4-pyridinyl]methanamine
SMILESNCc1ccnc(-c2c[nH]c3cc(C(F)(F)F)ccc23)c1
InChIInChI=1S/C15H12F3N3/c16-15(17,18)10-1-2-11-12(8-21-14(11)6-10)13-5-9(7-19)3-4-20-13/h1-6,8,21H,7,19H2
InChIKeyYTPBZLNWIGJYNT-UHFFFAOYSA-N
XLogP3.71
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.28
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-[6-(trifluoromethyl)-1H-indol-3-yl]-4-pyridinyl]methanamine?
The IUPAC name of [2-[6-(trifluoromethyl)-1H-indol-3-yl]-4-pyridinyl]methanamine (CID 115114098) is [2-[6-(trifluoromethyl)-1H-indol-3-yl]-4-pyridinyl]methanamine.
What is the SMILES notation for [2-[6-(trifluoromethyl)-1H-indol-3-yl]-4-pyridinyl]methanamine?
The canonical SMILES for [2-[6-(trifluoromethyl)-1H-indol-3-yl]-4-pyridinyl]methanamine is NCc1ccnc(-c2c[nH]c3cc(C(F)(F)F)ccc23)c1.
What is the InChIKey of [2-[6-(trifluoromethyl)-1H-indol-3-yl]-4-pyridinyl]methanamine?
The InChIKey is YTPBZLNWIGJYNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3N3/c16-15(17,18)10-1-2-11-12(8-21-14(11)6-10)13-5-9(7-19)3-4-20-13/h1-6,8,21H,7,19H2.
What are the key properties of [2-[6-(trifluoromethyl)-1H-indol-3-yl]-4-pyridinyl]methanamine?
[2-[6-(trifluoromethyl)-1H-indol-3-yl]-4-pyridinyl]methanamine has a molecular weight of 291.28 g/mol, XLogP of 3.71, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[6-(trifluoromethyl)-1H-indol-3-yl]-4-pyridinyl]methanamine is sourced from PubChem (CID 115114098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).