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

C7H7F4N3O — CID 133086175

IUPAC5-(aminomethyl)-4-fluoro-2-(trifluoromethoxy)pyridin-3-amine
SMILESNCc1cnc(OC(F)(F)F)c(N)c1F
InChIInChI=1S/C7H7F4N3O/c8-4-3(1-12)2-14-6(5(4)13)15-7(9,10)11/h2H,1,12-13H2
InChIKeyOVFCSCOOYXSCBJ-UHFFFAOYSA-N
MW225.14 g/mol
LogP1.16
Rot. Bonds2

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

5-(aminomethyl)-4-fluoro-2-(trifluoromethoxy)pyridin-3-amine (PubChem CID 133086175) has the molecular formula C7H7F4N3O and a molecular weight of 225.14 g/mol. Its IUPAC name is 5-(aminomethyl)-4-fluoro-2-(trifluoromethoxy)pyridin-3-amine.

Molecular Properties

Compound Name5-(aminomethyl)-4-fluoro-2-(trifluoromethoxy)pyridin-3-amine
PubChem CID133086175
Molecular FormulaC7H7F4N3O
Molecular Weight225.14 g/mol
Exact Mass225.05
IUPAC Name5-(aminomethyl)-4-fluoro-2-(trifluoromethoxy)pyridin-3-amine
SMILESNCc1cnc(OC(F)(F)F)c(N)c1F
InChIInChI=1S/C7H7F4N3O/c8-4-3(1-12)2-14-6(5(4)13)15-7(9,10)11/h2H,1,12-13H2
InChIKeyOVFCSCOOYXSCBJ-UHFFFAOYSA-N
XLogP1.16
TPSA74.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.14
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[4-bromo-5-fluoro-6-(trifluoromethoxy)-3-pyridinyl]methanamine
CID 131570412
[5-amino-4-(aminomethyl)-6-(trifluoromethoxy)-3-pyridinyl]methanol
CID 133085828
[4,6-difluoro-5-(trifluoromethoxy)-3-pyridinyl]methanamine
CID 130094285
[4-iodo-5-methyl-6-(trifluoromethoxy)-3-pyridinyl]methanamine
CID 130112708
[5-bromo-4-chloro-6-(trifluoromethoxy)-3-pyridinyl]methanamine
CID 131607030
3-(aminomethyl)-2-fluoro-6-(trifluoromethoxy)aniline
CID 134624109
[4-fluoro-5-(trifluoromethoxy)-3-pyridinyl]methanamine
CID 130092090
4-amino-5-(fluoromethyl)-2-(trifluoromethoxy)pyridin-3-ol
CID 118811668
5-(aminomethyl)-3-bromo-2-(trifluoromethoxy)pyridine-4-carbonitrile
CID 131464640
5-(aminomethyl)-4-(trifluoromethoxy)pyridin-2-amine
CID 119001782
[6-(difluoromethyl)-5-fluoro-4-(trifluoromethoxy)-3-pyridinyl]methanamine
CID 134666595
ethyl 2-[4-(aminomethyl)-5-fluoro-6-(trifluoromethoxy)-3-pyridinyl]acetate
CID 134677113

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-4-fluoro-2-(trifluoromethoxy)pyridin-3-amine?
The IUPAC name of 5-(aminomethyl)-4-fluoro-2-(trifluoromethoxy)pyridin-3-amine (CID 133086175) is 5-(aminomethyl)-4-fluoro-2-(trifluoromethoxy)pyridin-3-amine.
What is the SMILES notation for 5-(aminomethyl)-4-fluoro-2-(trifluoromethoxy)pyridin-3-amine?
The canonical SMILES for 5-(aminomethyl)-4-fluoro-2-(trifluoromethoxy)pyridin-3-amine is NCc1cnc(OC(F)(F)F)c(N)c1F.
What is the InChIKey of 5-(aminomethyl)-4-fluoro-2-(trifluoromethoxy)pyridin-3-amine?
The InChIKey is OVFCSCOOYXSCBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F4N3O/c8-4-3(1-12)2-14-6(5(4)13)15-7(9,10)11/h2H,1,12-13H2.
What are the key properties of 5-(aminomethyl)-4-fluoro-2-(trifluoromethoxy)pyridin-3-amine?
5-(aminomethyl)-4-fluoro-2-(trifluoromethoxy)pyridin-3-amine has a molecular weight of 225.14 g/mol, XLogP of 1.16, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-4-fluoro-2-(trifluoromethoxy)pyridin-3-amine is sourced from PubChem (CID 133086175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).