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

C8H9F3N2O — CID 118831271

IUPAC[4-methyl-3-(trifluoromethoxy)-2-pyridinyl]methanamine
SMILESCc1ccnc(CN)c1OC(F)(F)F
InChIInChI=1S/C8H9F3N2O/c1-5-2-3-13-6(4-12)7(5)14-8(9,10)11/h2-3H,4,12H2,1H3
InChIKeyDTOPBGHCAPZPFP-UHFFFAOYSA-N
MW206.17 g/mol
LogP1.75
Rot. Bonds2

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

[4-methyl-3-(trifluoromethoxy)-2-pyridinyl]methanamine (PubChem CID 118831271) has the molecular formula C8H9F3N2O and a molecular weight of 206.17 g/mol. Its IUPAC name is [4-methyl-3-(trifluoromethoxy)-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[4-methyl-3-(trifluoromethoxy)-2-pyridinyl]methanamine
PubChem CID118831271
Molecular FormulaC8H9F3N2O
Molecular Weight206.17 g/mol
Exact Mass206.07
IUPAC Name[4-methyl-3-(trifluoromethoxy)-2-pyridinyl]methanamine
SMILESCc1ccnc(CN)c1OC(F)(F)F
InChIInChI=1S/C8H9F3N2O/c1-5-2-3-13-6(4-12)7(5)14-8(9,10)11/h2-3H,4,12H2,1H3
InChIKeyDTOPBGHCAPZPFP-UHFFFAOYSA-N
XLogP1.75
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 ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-methoxy-3-(trifluoromethoxy)-2-pyridinyl]methanamine
CID 118814252
(5,8-dimethylisoquinolin-1-yl)methanamine
CID 82405735
2-(aminomethyl)-4-(trifluoromethoxy)pyridin-3-ol
CID 118836970
[4-methyl-6-nitro-3-(trifluoromethoxy)-2-pyridinyl]methanamine
CID 118814494
2-(aminomethyl)-3-(trifluoromethoxy)-5-(trifluoromethyl)pyridin-4-amine
CID 118834085
6-(aminomethyl)-5-methyl-3-(trifluoromethoxy)pyridin-2-amine
CID 119023621
[3-methyl-6-(trifluoromethoxy)quinolin-2-yl]methanamine
CID 82245488
[3,5-difluoro-4-(trifluoromethoxy)-2-pyridinyl]methanamine
CID 130094304
2-(aminomethyl)-4-(trifluoromethoxy)pyridine-3,5-diamine
CID 118825479
[4-(difluoromethyl)-5-methoxy-3-(trifluoromethoxy)-2-pyridinyl]methanamine
CID 118825721
2-(aminomethyl)-5-methoxy-4-(trifluoromethoxy)pyridin-3-amine
CID 133086232
ethyl 2-[6-(aminomethyl)-5-methoxy-4-(trifluoromethoxy)-3-pyridinyl]acetate
CID 134660470

Frequently Asked Questions

What is the IUPAC name of [4-methyl-3-(trifluoromethoxy)-2-pyridinyl]methanamine?
The IUPAC name of [4-methyl-3-(trifluoromethoxy)-2-pyridinyl]methanamine (CID 118831271) is [4-methyl-3-(trifluoromethoxy)-2-pyridinyl]methanamine.
What is the SMILES notation for [4-methyl-3-(trifluoromethoxy)-2-pyridinyl]methanamine?
The canonical SMILES for [4-methyl-3-(trifluoromethoxy)-2-pyridinyl]methanamine is Cc1ccnc(CN)c1OC(F)(F)F.
What is the InChIKey of [4-methyl-3-(trifluoromethoxy)-2-pyridinyl]methanamine?
The InChIKey is DTOPBGHCAPZPFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2O/c1-5-2-3-13-6(4-12)7(5)14-8(9,10)11/h2-3H,4,12H2,1H3.
What are the key properties of [4-methyl-3-(trifluoromethoxy)-2-pyridinyl]methanamine?
[4-methyl-3-(trifluoromethoxy)-2-pyridinyl]methanamine has a molecular weight of 206.17 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-3-(trifluoromethoxy)-2-pyridinyl]methanamine is sourced from PubChem (CID 118831271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).