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

C8H8F5N3 — CID 118850626

IUPAC3-(aminomethyl)-5-(difluoromethyl)-2-(trifluoromethyl)pyridin-4-amine
SMILESNCc1c(C(F)(F)F)ncc(C(F)F)c1N
InChIInChI=1S/C8H8F5N3/c9-7(10)4-2-16-6(8(11,12)13)3(1-14)5(4)15/h2,7H,1,14H2,(H2,15,16)
InChIKeyTTYULVJRESQTOI-UHFFFAOYSA-N
MW241.16 g/mol
LogP2.08
Rot. Bonds2

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

3-(aminomethyl)-5-(difluoromethyl)-2-(trifluoromethyl)pyridin-4-amine (PubChem CID 118850626) has the molecular formula C8H8F5N3 and a molecular weight of 241.16 g/mol. Its IUPAC name is 3-(aminomethyl)-5-(difluoromethyl)-2-(trifluoromethyl)pyridin-4-amine.

Molecular Properties

Compound Name3-(aminomethyl)-5-(difluoromethyl)-2-(trifluoromethyl)pyridin-4-amine
PubChem CID118850626
Molecular FormulaC8H8F5N3
Molecular Weight241.16 g/mol
Exact Mass241.06
IUPAC Name3-(aminomethyl)-5-(difluoromethyl)-2-(trifluoromethyl)pyridin-4-amine
SMILESNCc1c(C(F)(F)F)ncc(C(F)F)c1N
InChIInChI=1S/C8H8F5N3/c9-7(10)4-2-16-6(8(11,12)13)3(1-14)5(4)15/h2,7H,1,14H2,(H2,15,16)
InChIKeyTTYULVJRESQTOI-UHFFFAOYSA-N
XLogP2.08
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.16
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[4-bromo-5-(difluoromethyl)-2-(trifluoromethyl)-3-pyridinyl]methanamine
CID 130070007
[4-chloro-5-(difluoromethyl)-2-(trifluoromethyl)-3-pyridinyl]methanamine
CID 130074919
5-(difluoromethyl)-3-fluoro-2-(trifluoromethyl)pyridin-4-amine
CID 118829110
3-(aminomethyl)-2-chloro-5-(difluoromethyl)pyridin-4-amine
CID 118844985
[5-(difluoromethyl)-3-methoxy-2-(trifluoromethyl)-4-pyridinyl]methanamine
CID 133084912
[4-(difluoromethyl)-5-methyl-2-(trifluoromethyl)-3-pyridinyl]methanamine
CID 130088384
2-[3-amino-5-(difluoromethyl)-2-(trifluoromethyl)-4-pyridinyl]acetonitrile
CID 134685819
[5-chloro-3-(difluoromethyl)-2-(trifluoromethyl)-4-pyridinyl]methanamine
CID 118846102
3-(bromomethyl)-5-(difluoromethyl)pyridine-2,4-diamine
CID 130098692
2-amino-4-(aminomethyl)-5-(difluoromethyl)pyridin-3-ol
CID 118997020
[4-chloro-5-(difluoromethyl)-2-(trifluoromethyl)-3-pyridinyl]methanol
CID 118839353
[4-(difluoromethyl)-6-methyl-2-(trifluoromethyl)-3-pyridinyl]methanamine
CID 130088386

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-5-(difluoromethyl)-2-(trifluoromethyl)pyridin-4-amine?
The IUPAC name of 3-(aminomethyl)-5-(difluoromethyl)-2-(trifluoromethyl)pyridin-4-amine (CID 118850626) is 3-(aminomethyl)-5-(difluoromethyl)-2-(trifluoromethyl)pyridin-4-amine.
What is the SMILES notation for 3-(aminomethyl)-5-(difluoromethyl)-2-(trifluoromethyl)pyridin-4-amine?
The canonical SMILES for 3-(aminomethyl)-5-(difluoromethyl)-2-(trifluoromethyl)pyridin-4-amine is NCc1c(C(F)(F)F)ncc(C(F)F)c1N.
What is the InChIKey of 3-(aminomethyl)-5-(difluoromethyl)-2-(trifluoromethyl)pyridin-4-amine?
The InChIKey is TTYULVJRESQTOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F5N3/c9-7(10)4-2-16-6(8(11,12)13)3(1-14)5(4)15/h2,7H,1,14H2,(H2,15,16).
What are the key properties of 3-(aminomethyl)-5-(difluoromethyl)-2-(trifluoromethyl)pyridin-4-amine?
3-(aminomethyl)-5-(difluoromethyl)-2-(trifluoromethyl)pyridin-4-amine has a molecular weight of 241.16 g/mol, XLogP of 2.08, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-5-(difluoromethyl)-2-(trifluoromethyl)pyridin-4-amine is sourced from PubChem (CID 118850626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).