[6-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-3-pyridinyl]methanamine

C13H12F3N3 — CID 176908126

IUPAC[6-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-3-pyridinyl]methanamine
SMILESNCc1ccc(Cc2ccc(C(F)(F)F)nc2)nc1
InChIInChI=1S/C13H12F3N3/c14-13(15,16)12-4-2-9(7-19-12)5-11-3-1-10(6-17)8-18-11/h1-4,7-8H,5-6,17H2
InChIKeyVFAZYCPUFLARCG-UHFFFAOYSA-N
MW267.25 g/mol
LogP2.54
Rot. Bonds3

About [6-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-3-pyridinyl]methanamine

[6-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-3-pyridinyl]methanamine (PubChem CID 176908126) has the molecular formula C13H12F3N3 and a molecular weight of 267.25 g/mol. Its IUPAC name is [6-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[6-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-3-pyridinyl]methanamine
PubChem CID176908126
Molecular FormulaC13H12F3N3
Molecular Weight267.25 g/mol
Exact Mass267.10
IUPAC Name[6-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-3-pyridinyl]methanamine
SMILESNCc1ccc(Cc2ccc(C(F)(F)F)nc2)nc1
InChIInChI=1S/C13H12F3N3/c14-13(15,16)12-4-2-9(7-19-12)5-11-3-1-10(6-17)8-18-11/h1-4,7-8H,5-6,17H2
InChIKeyVFAZYCPUFLARCG-UHFFFAOYSA-N
XLogP2.54
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.25
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [6-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-3-pyridinyl]methanamine?
The IUPAC name of [6-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-3-pyridinyl]methanamine (CID 176908126) is [6-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-3-pyridinyl]methanamine.
What is the SMILES notation for [6-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-3-pyridinyl]methanamine?
The canonical SMILES for [6-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-3-pyridinyl]methanamine is NCc1ccc(Cc2ccc(C(F)(F)F)nc2)nc1.
What is the InChIKey of [6-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-3-pyridinyl]methanamine?
The InChIKey is VFAZYCPUFLARCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N3/c14-13(15,16)12-4-2-9(7-19-12)5-11-3-1-10(6-17)8-18-11/h1-4,7-8H,5-6,17H2.
What are the key properties of [6-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-3-pyridinyl]methanamine?
[6-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-3-pyridinyl]methanamine has a molecular weight of 267.25 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-3-pyridinyl]methanamine is sourced from PubChem (CID 176908126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).