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

C8H8F5N3O — CID 119011988

IUPAC4-(aminomethyl)-6-(difluoromethyl)-3-(trifluoromethoxy)pyridin-2-amine
SMILESNCc1cc(C(F)F)nc(N)c1OC(F)(F)F
InChIInChI=1S/C8H8F5N3O/c9-6(10)4-1-3(2-14)5(7(15)16-4)17-8(11,12)13/h1,6H,2,14H2,(H2,15,16)
InChIKeyXLDIJLQTKNHQSO-UHFFFAOYSA-N
MW257.16 g/mol
LogP1.96
Rot. Bonds3

About 4-(aminomethyl)-6-(difluoromethyl)-3-(trifluoromethoxy)pyridin-2-amine

4-(aminomethyl)-6-(difluoromethyl)-3-(trifluoromethoxy)pyridin-2-amine (PubChem CID 119011988) has the molecular formula C8H8F5N3O and a molecular weight of 257.16 g/mol. Its IUPAC name is 4-(aminomethyl)-6-(difluoromethyl)-3-(trifluoromethoxy)pyridin-2-amine.

Molecular Properties

Compound Name4-(aminomethyl)-6-(difluoromethyl)-3-(trifluoromethoxy)pyridin-2-amine
PubChem CID119011988
Molecular FormulaC8H8F5N3O
Molecular Weight257.16 g/mol
Exact Mass257.06
IUPAC Name4-(aminomethyl)-6-(difluoromethyl)-3-(trifluoromethoxy)pyridin-2-amine
SMILESNCc1cc(C(F)F)nc(N)c1OC(F)(F)F
InChIInChI=1S/C8H8F5N3O/c9-6(10)4-1-3(2-14)5(7(15)16-4)17-8(11,12)13/h1,6H,2,14H2,(H2,15,16)
InChIKeyXLDIJLQTKNHQSO-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

4-(aminomethyl)-6-(difluoromethyl)-3-(trifluoromethoxy)pyridine-2-sulfonamide
CID 134669918
4-(aminomethyl)-6-methyl-3-(trifluoromethoxy)pyridin-2-amine
CID 119018318
2-(aminomethyl)-6-(difluoromethyl)-3-(trifluoromethoxy)pyridin-4-amine
CID 118823621
2-[2-(aminomethyl)-6-(difluoromethyl)-3-(trifluoromethoxy)-4-pyridinyl]acetic acid
CID 118820188
4-(aminomethyl)-6-nitro-3-(trifluoromethoxy)pyridin-2-amine
CID 119009076
[2-amino-6-(aminomethyl)-3-(trifluoromethoxy)-4-pyridinyl]methanol
CID 133085817
4-(bromomethyl)-6-(difluoromethyl)-2-iodo-3-(trifluoromethoxy)pyridine
CID 134660867
3-(aminomethyl)-6-(difluoromethyl)-5-(trifluoromethoxy)pyridin-2-amine
CID 119005302
[2-(difluoromethyl)-3-methoxy-6-(trifluoromethoxy)-4-pyridinyl]methanamine
CID 134678172
4-(aminomethyl)-6-(difluoromethyl)-5-(trifluoromethoxy)pyridine-2-carbaldehyde
CID 118818531
4-(bromomethyl)-6-(difluoromethyl)-3-iodopyridin-2-amine
CID 119010652
[6-(difluoromethyl)-3-iodo-2-(trifluoromethyl)-4-pyridinyl]methanamine
CID 130086829

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-6-(difluoromethyl)-3-(trifluoromethoxy)pyridin-2-amine?
The IUPAC name of 4-(aminomethyl)-6-(difluoromethyl)-3-(trifluoromethoxy)pyridin-2-amine (CID 119011988) is 4-(aminomethyl)-6-(difluoromethyl)-3-(trifluoromethoxy)pyridin-2-amine.
What is the SMILES notation for 4-(aminomethyl)-6-(difluoromethyl)-3-(trifluoromethoxy)pyridin-2-amine?
The canonical SMILES for 4-(aminomethyl)-6-(difluoromethyl)-3-(trifluoromethoxy)pyridin-2-amine is NCc1cc(C(F)F)nc(N)c1OC(F)(F)F.
What is the InChIKey of 4-(aminomethyl)-6-(difluoromethyl)-3-(trifluoromethoxy)pyridin-2-amine?
The InChIKey is XLDIJLQTKNHQSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F5N3O/c9-6(10)4-1-3(2-14)5(7(15)16-4)17-8(11,12)13/h1,6H,2,14H2,(H2,15,16).
What are the key properties of 4-(aminomethyl)-6-(difluoromethyl)-3-(trifluoromethoxy)pyridin-2-amine?
4-(aminomethyl)-6-(difluoromethyl)-3-(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 4-(aminomethyl)-6-(difluoromethyl)-3-(trifluoromethoxy)pyridin-2-amine is sourced from PubChem (CID 119011988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).