3-(aminomethyl)-6-(difluoromethyl)-5-(trifluoromethoxy)pyridin-2-amine

C8H8F5N3O — CID 119005302

IUPAC3-(aminomethyl)-6-(difluoromethyl)-5-(trifluoromethoxy)pyridin-2-amine
SMILESNCc1cc(OC(F)(F)F)c(C(F)F)nc1N
InChIInChI=1S/C8H8F5N3O/c9-6(10)5-4(17-8(11,12)13)1-3(2-14)7(15)16-5/h1,6H,2,14H2,(H2,15,16)
InChIKeyIZLGUHFFXDZWQA-UHFFFAOYSA-N
MW257.16 g/mol
LogP1.96
Rot. Bonds3

About 3-(aminomethyl)-6-(difluoromethyl)-5-(trifluoromethoxy)pyridin-2-amine

3-(aminomethyl)-6-(difluoromethyl)-5-(trifluoromethoxy)pyridin-2-amine (PubChem CID 119005302) has the molecular formula C8H8F5N3O and a molecular weight of 257.16 g/mol. Its IUPAC name is 3-(aminomethyl)-6-(difluoromethyl)-5-(trifluoromethoxy)pyridin-2-amine.

Molecular Properties

Compound Name3-(aminomethyl)-6-(difluoromethyl)-5-(trifluoromethoxy)pyridin-2-amine
PubChem CID119005302
Molecular FormulaC8H8F5N3O
Molecular Weight257.16 g/mol
Exact Mass257.06
IUPAC Name3-(aminomethyl)-6-(difluoromethyl)-5-(trifluoromethoxy)pyridin-2-amine
SMILESNCc1cc(OC(F)(F)F)c(C(F)F)nc1N
InChIInChI=1S/C8H8F5N3O/c9-6(10)5-4(17-8(11,12)13)1-3(2-14)7(15)16-5/h1,6H,2,14H2,(H2,15,16)
InChIKeyIZLGUHFFXDZWQA-UHFFFAOYSA-N
XLogP1.96
TPSA74.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.16
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(aminomethyl)-6-(difluoromethyl)-5-(trifluoromethoxy)pyridin-3-amine
CID 133086334
3-(aminomethyl)-6-(difluoromethyl)-5-(trifluoromethoxy)pyridine-2-carbaldehyde
CID 134672573
2-amino-6-(difluoromethyl)-5-(trifluoromethoxy)pyridine-3-carbaldehyde
CID 119007498
6-(aminomethyl)-2-(difluoromethyl)-4-(trifluoromethoxy)pyridin-3-amine
CID 133086353
ethyl 2-[3-(aminomethyl)-6-(difluoromethyl)-5-(trifluoromethoxy)-2-pyridinyl]acetate
CID 134668999
3-(aminomethyl)-6-(difluoromethyl)pyridine-2,5-diamine
CID 130098680
3-(aminomethyl)-5-methoxy-6-(trifluoromethoxy)pyridin-2-amine
CID 118990870
3-(aminomethyl)-6-(difluoromethyl)-5-iodopyridin-2-amine
CID 119017545
4-(aminomethyl)-6-(difluoromethyl)-3-(trifluoromethoxy)pyridin-2-amine
CID 119011988
6-(aminomethyl)-2-(difluoromethyl)-5-(trifluoromethoxy)pyridin-3-ol
CID 118842664
2-[6-amino-3-(aminomethyl)-5-(trifluoromethoxy)-2-pyridinyl]acetonitrile
CID 118996718
[2-(difluoromethyl)-3-methoxy-6-(trifluoromethoxy)-4-pyridinyl]methanamine
CID 134678172

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-6-(difluoromethyl)-5-(trifluoromethoxy)pyridin-2-amine?
The IUPAC name of 3-(aminomethyl)-6-(difluoromethyl)-5-(trifluoromethoxy)pyridin-2-amine (CID 119005302) is 3-(aminomethyl)-6-(difluoromethyl)-5-(trifluoromethoxy)pyridin-2-amine.
What is the SMILES notation for 3-(aminomethyl)-6-(difluoromethyl)-5-(trifluoromethoxy)pyridin-2-amine?
The canonical SMILES for 3-(aminomethyl)-6-(difluoromethyl)-5-(trifluoromethoxy)pyridin-2-amine is NCc1cc(OC(F)(F)F)c(C(F)F)nc1N.
What is the InChIKey of 3-(aminomethyl)-6-(difluoromethyl)-5-(trifluoromethoxy)pyridin-2-amine?
The InChIKey is IZLGUHFFXDZWQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F5N3O/c9-6(10)5-4(17-8(11,12)13)1-3(2-14)7(15)16-5/h1,6H,2,14H2,(H2,15,16).
What are the key properties of 3-(aminomethyl)-6-(difluoromethyl)-5-(trifluoromethoxy)pyridin-2-amine?
3-(aminomethyl)-6-(difluoromethyl)-5-(trifluoromethoxy)pyridin-2-amine has a molecular weight of 257.16 g/mol, XLogP of 1.96, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-6-(difluoromethyl)-5-(trifluoromethoxy)pyridin-2-amine is sourced from PubChem (CID 119005302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).