[6-methoxy-3-(trifluoromethoxy)-5-(trifluoromethyl)-2-pyridinyl]methanamine

C9H8F6N2O2 — CID 134661918

IUPAC[6-methoxy-3-(trifluoromethoxy)-5-(trifluoromethyl)-2-pyridinyl]methanamine
SMILESCOc1nc(CN)c(OC(F)(F)F)cc1C(F)(F)F
InChIInChI=1S/C9H8F6N2O2/c1-18-7-4(8(10,11)12)2-6(5(3-16)17-7)19-9(13,14)15/h2H,3,16H2,1H3
InChIKeyOXKZHOKBJAIKIV-UHFFFAOYSA-N
MW290.16 g/mol
LogP2.47
Rot. Bonds3

About [6-methoxy-3-(trifluoromethoxy)-5-(trifluoromethyl)-2-pyridinyl]methanamine

[6-methoxy-3-(trifluoromethoxy)-5-(trifluoromethyl)-2-pyridinyl]methanamine (PubChem CID 134661918) has the molecular formula C9H8F6N2O2 and a molecular weight of 290.16 g/mol. Its IUPAC name is [6-methoxy-3-(trifluoromethoxy)-5-(trifluoromethyl)-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[6-methoxy-3-(trifluoromethoxy)-5-(trifluoromethyl)-2-pyridinyl]methanamine
PubChem CID134661918
Molecular FormulaC9H8F6N2O2
Molecular Weight290.16 g/mol
Exact Mass290.05
IUPAC Name[6-methoxy-3-(trifluoromethoxy)-5-(trifluoromethyl)-2-pyridinyl]methanamine
SMILESCOc1nc(CN)c(OC(F)(F)F)cc1C(F)(F)F
InChIInChI=1S/C9H8F6N2O2/c1-18-7-4(8(10,11)12)2-6(5(3-16)17-7)19-9(13,14)15/h2H,3,16H2,1H3
InChIKeyOXKZHOKBJAIKIV-UHFFFAOYSA-N
XLogP2.47
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.16
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[6-(aminomethyl)-5-(trifluoromethoxy)-3-(trifluoromethyl)-2-pyridinyl]methanol
CID 118831104
6-(aminomethyl)-2-(trifluoromethoxy)-5-(trifluoromethyl)pyridin-3-ol
CID 134680204
ethyl 2-(aminomethyl)-6-methoxy-5-(trifluoromethoxy)pyridine-3-carboxylate
CID 134668134
[6-methoxy-5-(trifluoromethoxy)-2-pyridinyl]methanamine
CID 133085661
2-(aminomethyl)-4-methoxy-6-(trifluoromethoxy)pyridin-3-amine
CID 133086231
[2-iodo-6-methoxy-5-(trifluoromethoxy)-3-pyridinyl]methanamine
CID 134666898
2-[5-methoxy-6-(trifluoromethoxy)-3-(trifluoromethyl)-2-pyridinyl]acetic acid
CID 134679126
2-[6-(aminomethyl)-5-(trifluoromethoxy)-2-(trifluoromethyl)-3-pyridinyl]acetic acid
CID 134678169
3-(chloromethyl)-2-methoxy-6-(trifluoromethoxy)-5-(trifluoromethyl)pyridine
CID 134681912
3-(difluoromethyl)-2-methoxy-4-(trifluoromethoxy)-6-(trifluoromethyl)pyridine
CID 134665221
[6-(aminomethyl)-3-methoxy-4-(trifluoromethoxy)-2-pyridinyl]methanol
CID 134666113
[5-iodo-6-methoxy-4-(trifluoromethoxy)-2-pyridinyl]methanol
CID 134666290

Frequently Asked Questions

What is the IUPAC name of [6-methoxy-3-(trifluoromethoxy)-5-(trifluoromethyl)-2-pyridinyl]methanamine?
The IUPAC name of [6-methoxy-3-(trifluoromethoxy)-5-(trifluoromethyl)-2-pyridinyl]methanamine (CID 134661918) is [6-methoxy-3-(trifluoromethoxy)-5-(trifluoromethyl)-2-pyridinyl]methanamine.
What is the SMILES notation for [6-methoxy-3-(trifluoromethoxy)-5-(trifluoromethyl)-2-pyridinyl]methanamine?
The canonical SMILES for [6-methoxy-3-(trifluoromethoxy)-5-(trifluoromethyl)-2-pyridinyl]methanamine is COc1nc(CN)c(OC(F)(F)F)cc1C(F)(F)F.
What is the InChIKey of [6-methoxy-3-(trifluoromethoxy)-5-(trifluoromethyl)-2-pyridinyl]methanamine?
The InChIKey is OXKZHOKBJAIKIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F6N2O2/c1-18-7-4(8(10,11)12)2-6(5(3-16)17-7)19-9(13,14)15/h2H,3,16H2,1H3.
What are the key properties of [6-methoxy-3-(trifluoromethoxy)-5-(trifluoromethyl)-2-pyridinyl]methanamine?
[6-methoxy-3-(trifluoromethoxy)-5-(trifluoromethyl)-2-pyridinyl]methanamine has a molecular weight of 290.16 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-methoxy-3-(trifluoromethoxy)-5-(trifluoromethyl)-2-pyridinyl]methanamine is sourced from PubChem (CID 134661918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).