[2-methyl-5-(trifluoromethoxy)-3-(trifluoromethyl)-4-pyridinyl]methanamine

C9H8F6N2O — CID 118835408

IUPAC[2-methyl-5-(trifluoromethoxy)-3-(trifluoromethyl)-4-pyridinyl]methanamine
SMILESCc1ncc(OC(F)(F)F)c(CN)c1C(F)(F)F
InChIInChI=1S/C9H8F6N2O/c1-4-7(8(10,11)12)5(2-16)6(3-17-4)18-9(13,14)15/h3H,2,16H2,1H3
InChIKeyZRVMOQJXJMSSKX-UHFFFAOYSA-N
MW274.16 g/mol
LogP2.77
Rot. Bonds2

About [2-methyl-5-(trifluoromethoxy)-3-(trifluoromethyl)-4-pyridinyl]methanamine

[2-methyl-5-(trifluoromethoxy)-3-(trifluoromethyl)-4-pyridinyl]methanamine (PubChem CID 118835408) has the molecular formula C9H8F6N2O and a molecular weight of 274.16 g/mol. Its IUPAC name is [2-methyl-5-(trifluoromethoxy)-3-(trifluoromethyl)-4-pyridinyl]methanamine.

Molecular Properties

Compound Name[2-methyl-5-(trifluoromethoxy)-3-(trifluoromethyl)-4-pyridinyl]methanamine
PubChem CID118835408
Molecular FormulaC9H8F6N2O
Molecular Weight274.16 g/mol
Exact Mass274.05
IUPAC Name[2-methyl-5-(trifluoromethoxy)-3-(trifluoromethyl)-4-pyridinyl]methanamine
SMILESCc1ncc(OC(F)(F)F)c(CN)c1C(F)(F)F
InChIInChI=1S/C9H8F6N2O/c1-4-7(8(10,11)12)5(2-16)6(3-17-4)18-9(13,14)15/h3H,2,16H2,1H3
InChIKeyZRVMOQJXJMSSKX-UHFFFAOYSA-N
XLogP2.77
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.16
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-3-chloro-5-(trifluoromethoxy)pyridin-2-amine
CID 119001282
4-(aminomethyl)-2-iodo-5-(trifluoromethoxy)pyridin-3-amine
CID 131612340
[3-bromo-2-fluoro-5-(trifluoromethoxy)-4-pyridinyl]methanamine
CID 131571676
[2-(difluoromethyl)-5-methoxy-3-(trifluoromethyl)-4-pyridinyl]methanamine
CID 133084908
2-(aminomethyl)-4-methyl-5-(trifluoromethoxy)pyridin-3-amine
CID 133086262
[5-methoxy-4-(trifluoromethoxy)-2-pyridinyl]methanamine
CID 118837036
[4-iodo-5-methyl-2-(trifluoromethoxy)-3-pyridinyl]methanamine
CID 130112707
[2,4-dibromo-5-(trifluoromethoxy)-3-pyridinyl]methanamine
CID 130093650
2-(aminomethyl)-5-(trifluoromethoxy)-3-(trifluoromethyl)pyridine-4-carboxylic acid
CID 134672699
3-(fluoromethyl)-5-methoxy-2-(trifluoromethoxy)-4-(trifluoromethyl)pyridine
CID 134682676
ethyl 3-(aminomethyl)-5-(trifluoromethoxy)-2-(trifluoromethyl)pyridine-4-carboxylate
CID 134682897
ethyl 2-[4-(aminomethyl)-3-methyl-5-(trifluoromethoxy)-2-pyridinyl]acetate
CID 133085646

Frequently Asked Questions

What is the IUPAC name of [2-methyl-5-(trifluoromethoxy)-3-(trifluoromethyl)-4-pyridinyl]methanamine?
The IUPAC name of [2-methyl-5-(trifluoromethoxy)-3-(trifluoromethyl)-4-pyridinyl]methanamine (CID 118835408) is [2-methyl-5-(trifluoromethoxy)-3-(trifluoromethyl)-4-pyridinyl]methanamine.
What is the SMILES notation for [2-methyl-5-(trifluoromethoxy)-3-(trifluoromethyl)-4-pyridinyl]methanamine?
The canonical SMILES for [2-methyl-5-(trifluoromethoxy)-3-(trifluoromethyl)-4-pyridinyl]methanamine is Cc1ncc(OC(F)(F)F)c(CN)c1C(F)(F)F.
What is the InChIKey of [2-methyl-5-(trifluoromethoxy)-3-(trifluoromethyl)-4-pyridinyl]methanamine?
The InChIKey is ZRVMOQJXJMSSKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F6N2O/c1-4-7(8(10,11)12)5(2-16)6(3-17-4)18-9(13,14)15/h3H,2,16H2,1H3.
What are the key properties of [2-methyl-5-(trifluoromethoxy)-3-(trifluoromethyl)-4-pyridinyl]methanamine?
[2-methyl-5-(trifluoromethoxy)-3-(trifluoromethyl)-4-pyridinyl]methanamine has a molecular weight of 274.16 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-5-(trifluoromethoxy)-3-(trifluoromethyl)-4-pyridinyl]methanamine is sourced from PubChem (CID 118835408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).