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

C8H8F5N3O — CID 118823621

IUPAC2-(aminomethyl)-6-(difluoromethyl)-3-(trifluoromethoxy)pyridin-4-amine
SMILESNCc1nc(C(F)F)cc(N)c1OC(F)(F)F
InChIInChI=1S/C8H8F5N3O/c9-7(10)4-1-3(15)6(5(2-14)16-4)17-8(11,12)13/h1,7H,2,14H2,(H2,15,16)
InChIKeyQSKCMOCWKBRTPW-UHFFFAOYSA-N
MW257.16 g/mol
LogP1.96
Rot. Bonds3

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

2-(aminomethyl)-6-(difluoromethyl)-3-(trifluoromethoxy)pyridin-4-amine (PubChem CID 118823621) has the molecular formula C8H8F5N3O and a molecular weight of 257.16 g/mol. Its IUPAC name is 2-(aminomethyl)-6-(difluoromethyl)-3-(trifluoromethoxy)pyridin-4-amine.

Molecular Properties

Compound Name2-(aminomethyl)-6-(difluoromethyl)-3-(trifluoromethoxy)pyridin-4-amine
PubChem CID118823621
Molecular FormulaC8H8F5N3O
Molecular Weight257.16 g/mol
Exact Mass257.06
IUPAC Name2-(aminomethyl)-6-(difluoromethyl)-3-(trifluoromethoxy)pyridin-4-amine
SMILESNCc1nc(C(F)F)cc(N)c1OC(F)(F)F
InChIInChI=1S/C8H8F5N3O/c9-7(10)4-1-3(15)6(5(2-14)16-4)17-8(11,12)13/h1,7H,2,14H2,(H2,15,16)
InChIKeyQSKCMOCWKBRTPW-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-[2-(aminomethyl)-6-(difluoromethyl)-3-(trifluoromethoxy)-4-pyridinyl]acetic acid
CID 118820188
2-(aminomethyl)-6-methoxy-3-(trifluoromethoxy)pyridin-4-amine
CID 118824129
4-(aminomethyl)-6-(difluoromethyl)-3-(trifluoromethoxy)pyridin-2-amine
CID 119011988
4-amino-2-(aminomethyl)-6-(difluoromethyl)pyridin-3-ol
CID 118818065
2-(aminomethyl)-6-(difluoromethyl)-4-(trifluoromethoxy)pyridine-3-carboxylic acid
CID 118836960
2-(aminomethyl)-6-(difluoromethyl)-5-(trifluoromethoxy)pyridin-3-amine
CID 133086334
2-(chloromethyl)-6-(difluoromethyl)-4-fluoro-3-(trifluoromethoxy)pyridine
CID 134659693
6-(aminomethyl)-4-(difluoromethyl)-5-(trifluoromethoxy)pyridine-2-carbaldehyde
CID 118819890
4-(aminomethyl)-6-(difluoromethyl)-3-(trifluoromethoxy)pyridine-2-sulfonamide
CID 134669918
2-(bromomethyl)-6-(difluoromethyl)-3-methoxypyridin-4-amine
CID 130105942
[4-amino-6-(fluoromethyl)-3-(trifluoromethoxy)-2-pyridinyl]methanol
CID 118811822
2-[3-(aminomethyl)-6-(difluoromethyl)-4-(trifluoromethoxy)-2-pyridinyl]acetic acid
CID 134661435

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-6-(difluoromethyl)-3-(trifluoromethoxy)pyridin-4-amine?
The IUPAC name of 2-(aminomethyl)-6-(difluoromethyl)-3-(trifluoromethoxy)pyridin-4-amine (CID 118823621) is 2-(aminomethyl)-6-(difluoromethyl)-3-(trifluoromethoxy)pyridin-4-amine.
What is the SMILES notation for 2-(aminomethyl)-6-(difluoromethyl)-3-(trifluoromethoxy)pyridin-4-amine?
The canonical SMILES for 2-(aminomethyl)-6-(difluoromethyl)-3-(trifluoromethoxy)pyridin-4-amine is NCc1nc(C(F)F)cc(N)c1OC(F)(F)F.
What is the InChIKey of 2-(aminomethyl)-6-(difluoromethyl)-3-(trifluoromethoxy)pyridin-4-amine?
The InChIKey is QSKCMOCWKBRTPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F5N3O/c9-7(10)4-1-3(15)6(5(2-14)16-4)17-8(11,12)13/h1,7H,2,14H2,(H2,15,16).
What are the key properties of 2-(aminomethyl)-6-(difluoromethyl)-3-(trifluoromethoxy)pyridin-4-amine?
2-(aminomethyl)-6-(difluoromethyl)-3-(trifluoromethoxy)pyridin-4-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 2-(aminomethyl)-6-(difluoromethyl)-3-(trifluoromethoxy)pyridin-4-amine is sourced from PubChem (CID 118823621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).