2-methyl-4-[3-(trifluoromethoxy)phenyl]pyridin-3-amine

C13H11F3N2O — CID 133086749

IUPAC2-methyl-4-[3-(trifluoromethoxy)phenyl]pyridin-3-amine
SMILESCc1nccc(-c2cccc(OC(F)(F)F)c2)c1N
InChIInChI=1S/C13H11F3N2O/c1-8-12(17)11(5-6-18-8)9-3-2-4-10(7-9)19-13(14,15)16/h2-7H,17H2,1H3
InChIKeyJKJZXEZBQMLRQU-UHFFFAOYSA-N
MW268.24 g/mol
LogP3.54
Rot. Bonds2

About 2-methyl-4-[3-(trifluoromethoxy)phenyl]pyridin-3-amine

2-methyl-4-[3-(trifluoromethoxy)phenyl]pyridin-3-amine (PubChem CID 133086749) has the molecular formula C13H11F3N2O and a molecular weight of 268.24 g/mol. Its IUPAC name is 2-methyl-4-[3-(trifluoromethoxy)phenyl]pyridin-3-amine.

Molecular Properties

Compound Name2-methyl-4-[3-(trifluoromethoxy)phenyl]pyridin-3-amine
PubChem CID133086749
Molecular FormulaC13H11F3N2O
Molecular Weight268.24 g/mol
Exact Mass268.08
IUPAC Name2-methyl-4-[3-(trifluoromethoxy)phenyl]pyridin-3-amine
SMILESCc1nccc(-c2cccc(OC(F)(F)F)c2)c1N
InChIInChI=1S/C13H11F3N2O/c1-8-12(17)11(5-6-18-8)9-3-2-4-10(7-9)19-13(14,15)16/h2-7H,17H2,1H3
InChIKeyJKJZXEZBQMLRQU-UHFFFAOYSA-N
XLogP3.54
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.24
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-2,6-bis[3-(trifluoromethoxy)phenyl]aniline
CID 23628482
2-methyl-3-[3-(trifluoromethoxy)phenyl]aniline
CID 107626546
2,4-dimethyl-5-[3-(trifluoromethoxy)phenyl]pyrimidine
CID 119023762
1-methyl-2-[3-(trifluoromethoxy)phenyl]benzene
CID 18715807
6-methoxy-5-[3-(trifluoromethoxy)phenyl]pyridin-3-amine
CID 133086740
5-iodo-6-methyl-2-[3-(trifluoromethoxy)phenyl]pyrimidin-4-amine
CID 107105171
5-[3-(trifluoromethoxy)phenyl]pyrimidine-2,4-diamine
CID 22326853
2,5-bis[3-(trifluoromethoxy)phenyl]pyridin-4-amine
CID 118828810
1,2-dimethyl-3-[3-(trifluoromethoxy)phenyl]benzene
CID 57085724
3-[3-(trifluoromethoxy)phenyl]pyridine-2-carbonitrile
CID 134621656
2-fluoro-3-[3-(trifluoromethoxy)phenyl]aniline
CID 134624108
3-methyl-4-[3-(trifluoromethoxy)phenyl]thiophene
CID 145460723

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[3-(trifluoromethoxy)phenyl]pyridin-3-amine?
The IUPAC name of 2-methyl-4-[3-(trifluoromethoxy)phenyl]pyridin-3-amine (CID 133086749) is 2-methyl-4-[3-(trifluoromethoxy)phenyl]pyridin-3-amine.
What is the SMILES notation for 2-methyl-4-[3-(trifluoromethoxy)phenyl]pyridin-3-amine?
The canonical SMILES for 2-methyl-4-[3-(trifluoromethoxy)phenyl]pyridin-3-amine is Cc1nccc(-c2cccc(OC(F)(F)F)c2)c1N.
What is the InChIKey of 2-methyl-4-[3-(trifluoromethoxy)phenyl]pyridin-3-amine?
The InChIKey is JKJZXEZBQMLRQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2O/c1-8-12(17)11(5-6-18-8)9-3-2-4-10(7-9)19-13(14,15)16/h2-7H,17H2,1H3.
What are the key properties of 2-methyl-4-[3-(trifluoromethoxy)phenyl]pyridin-3-amine?
2-methyl-4-[3-(trifluoromethoxy)phenyl]pyridin-3-amine has a molecular weight of 268.24 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[3-(trifluoromethoxy)phenyl]pyridin-3-amine is sourced from PubChem (CID 133086749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).