2-(aminomethyl)-3-(trifluoromethoxy)-5-(trifluoromethyl)pyridin-4-amine

C8H7F6N3O — CID 118834085

IUPAC2-(aminomethyl)-3-(trifluoromethoxy)-5-(trifluoromethyl)pyridin-4-amine
SMILESNCc1ncc(C(F)(F)F)c(N)c1OC(F)(F)F
InChIInChI=1S/C8H7F6N3O/c9-7(10,11)3-2-17-4(1-15)6(5(3)16)18-8(12,13)14/h2H,1,15H2,(H2,16,17)
InChIKeyHNXJTUCSFNCAOQ-UHFFFAOYSA-N
MW275.15 g/mol
LogP2.04
Rot. Bonds2

About 2-(aminomethyl)-3-(trifluoromethoxy)-5-(trifluoromethyl)pyridin-4-amine

2-(aminomethyl)-3-(trifluoromethoxy)-5-(trifluoromethyl)pyridin-4-amine (PubChem CID 118834085) has the molecular formula C8H7F6N3O and a molecular weight of 275.15 g/mol. Its IUPAC name is 2-(aminomethyl)-3-(trifluoromethoxy)-5-(trifluoromethyl)pyridin-4-amine.

Molecular Properties

Compound Name2-(aminomethyl)-3-(trifluoromethoxy)-5-(trifluoromethyl)pyridin-4-amine
PubChem CID118834085
Molecular FormulaC8H7F6N3O
Molecular Weight275.15 g/mol
Exact Mass275.05
IUPAC Name2-(aminomethyl)-3-(trifluoromethoxy)-5-(trifluoromethyl)pyridin-4-amine
SMILESNCc1ncc(C(F)(F)F)c(N)c1OC(F)(F)F
InChIInChI=1S/C8H7F6N3O/c9-7(10,11)3-2-17-4(1-15)6(5(3)16)18-8(12,13)14/h2H,1,15H2,(H2,16,17)
InChIKeyHNXJTUCSFNCAOQ-UHFFFAOYSA-N
XLogP2.04
TPSA74.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.15
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(aminomethyl)-4-(trifluoromethoxy)pyridine-3,5-diamine
CID 118825479
3-(aminomethyl)-4-(trifluoromethoxy)-5-(trifluoromethyl)pyridin-2-amine
CID 119005601
2-[2-(aminomethyl)-4-(trifluoromethoxy)-5-(trifluoromethyl)-3-pyridinyl]acetonitrile
CID 118853894
ethyl 2-[2-(aminomethyl)-3-(trifluoromethoxy)-5-(trifluoromethyl)-4-pyridinyl]acetate
CID 134678202
2-(aminomethyl)-5-methoxy-4-(trifluoromethoxy)pyridin-3-amine
CID 133086232
[3,5-difluoro-4-(trifluoromethoxy)-2-pyridinyl]methanamine
CID 130094304
2-(aminomethyl)-4-methyl-5-(trifluoromethoxy)pyridin-3-amine
CID 133086262
[5-(difluoromethyl)-4-(trifluoromethoxy)-3-(trifluoromethyl)-2-pyridinyl]methanamine
CID 134672562
6-(aminomethyl)-5-(trifluoromethyl)pyridin-3-amine
CID 156681115
4-iodo-2-methyl-3-(trifluoromethoxy)-5-(trifluoromethyl)pyridine
CID 134661634
[4-methyl-3-(trifluoromethoxy)-2-pyridinyl]methanamine
CID 118831271
[4-methoxy-3-(trifluoromethoxy)-5-(trifluoromethyl)-2-pyridinyl]methanol
CID 134669917

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-3-(trifluoromethoxy)-5-(trifluoromethyl)pyridin-4-amine?
The IUPAC name of 2-(aminomethyl)-3-(trifluoromethoxy)-5-(trifluoromethyl)pyridin-4-amine (CID 118834085) is 2-(aminomethyl)-3-(trifluoromethoxy)-5-(trifluoromethyl)pyridin-4-amine.
What is the SMILES notation for 2-(aminomethyl)-3-(trifluoromethoxy)-5-(trifluoromethyl)pyridin-4-amine?
The canonical SMILES for 2-(aminomethyl)-3-(trifluoromethoxy)-5-(trifluoromethyl)pyridin-4-amine is NCc1ncc(C(F)(F)F)c(N)c1OC(F)(F)F.
What is the InChIKey of 2-(aminomethyl)-3-(trifluoromethoxy)-5-(trifluoromethyl)pyridin-4-amine?
The InChIKey is HNXJTUCSFNCAOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F6N3O/c9-7(10,11)3-2-17-4(1-15)6(5(3)16)18-8(12,13)14/h2H,1,15H2,(H2,16,17).
What are the key properties of 2-(aminomethyl)-3-(trifluoromethoxy)-5-(trifluoromethyl)pyridin-4-amine?
2-(aminomethyl)-3-(trifluoromethoxy)-5-(trifluoromethyl)pyridin-4-amine has a molecular weight of 275.15 g/mol, XLogP of 2.04, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-3-(trifluoromethoxy)-5-(trifluoromethyl)pyridin-4-amine is sourced from PubChem (CID 118834085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).