[6-methoxy-4-(trifluoromethyl)-3-pyridinyl]methanamine

C8H9F3N2O — CID 122198441

IUPAC[6-methoxy-4-(trifluoromethyl)-3-pyridinyl]methanamine
SMILESCOc1cc(C(F)(F)F)c(CN)cn1
InChIInChI=1S/C8H9F3N2O/c1-14-7-2-6(8(9,10)11)5(3-12)4-13-7/h2,4H,3,12H2,1H3
InChIKeyCBJLXAWENBWELD-UHFFFAOYSA-N
MW206.17 g/mol
LogP1.57
Rot. Bonds2

About [6-methoxy-4-(trifluoromethyl)-3-pyridinyl]methanamine

[6-methoxy-4-(trifluoromethyl)-3-pyridinyl]methanamine (PubChem CID 122198441) has the molecular formula C8H9F3N2O and a molecular weight of 206.17 g/mol. Its IUPAC name is [6-methoxy-4-(trifluoromethyl)-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[6-methoxy-4-(trifluoromethyl)-3-pyridinyl]methanamine
PubChem CID122198441
Molecular FormulaC8H9F3N2O
Molecular Weight206.17 g/mol
Exact Mass206.07
IUPAC Name[6-methoxy-4-(trifluoromethyl)-3-pyridinyl]methanamine
SMILESCOc1cc(C(F)(F)F)c(CN)cn1
InChIInChI=1S/C8H9F3N2O/c1-14-7-2-6(8(9,10)11)5(3-12)4-13-7/h2,4H,3,12H2,1H3
InChIKeyCBJLXAWENBWELD-UHFFFAOYSA-N
XLogP1.57
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.17
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [6-methoxy-4-(trifluoromethyl)-3-pyridinyl]methanamine?
The IUPAC name of [6-methoxy-4-(trifluoromethyl)-3-pyridinyl]methanamine (CID 122198441) is [6-methoxy-4-(trifluoromethyl)-3-pyridinyl]methanamine.
What is the SMILES notation for [6-methoxy-4-(trifluoromethyl)-3-pyridinyl]methanamine?
The canonical SMILES for [6-methoxy-4-(trifluoromethyl)-3-pyridinyl]methanamine is COc1cc(C(F)(F)F)c(CN)cn1.
What is the InChIKey of [6-methoxy-4-(trifluoromethyl)-3-pyridinyl]methanamine?
The InChIKey is CBJLXAWENBWELD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2O/c1-14-7-2-6(8(9,10)11)5(3-12)4-13-7/h2,4H,3,12H2,1H3.
What are the key properties of [6-methoxy-4-(trifluoromethyl)-3-pyridinyl]methanamine?
[6-methoxy-4-(trifluoromethyl)-3-pyridinyl]methanamine has a molecular weight of 206.17 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-methoxy-4-(trifluoromethyl)-3-pyridinyl]methanamine is sourced from PubChem (CID 122198441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).