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

C7H7F4N3O — CID 133086177

IUPAC5-(aminomethyl)-6-fluoro-2-(trifluoromethoxy)pyridin-3-amine
SMILESNCc1cc(N)c(OC(F)(F)F)nc1F
InChIInChI=1S/C7H7F4N3O/c8-5-3(2-12)1-4(13)6(14-5)15-7(9,10)11/h1H,2,12-13H2
InChIKeyCGQWQHRXKWFAAO-UHFFFAOYSA-N
MW225.14 g/mol
LogP1.16
Rot. Bonds2

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

5-(aminomethyl)-6-fluoro-2-(trifluoromethoxy)pyridin-3-amine (PubChem CID 133086177) has the molecular formula C7H7F4N3O and a molecular weight of 225.14 g/mol. Its IUPAC name is 5-(aminomethyl)-6-fluoro-2-(trifluoromethoxy)pyridin-3-amine.

Molecular Properties

Compound Name5-(aminomethyl)-6-fluoro-2-(trifluoromethoxy)pyridin-3-amine
PubChem CID133086177
Molecular FormulaC7H7F4N3O
Molecular Weight225.14 g/mol
Exact Mass225.05
IUPAC Name5-(aminomethyl)-6-fluoro-2-(trifluoromethoxy)pyridin-3-amine
SMILESNCc1cc(N)c(OC(F)(F)F)nc1F
InChIInChI=1S/C7H7F4N3O/c8-5-3(2-12)1-4(13)6(14-5)15-7(9,10)11/h1H,2,12-13H2
InChIKeyCGQWQHRXKWFAAO-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

5-(aminomethyl)-6-bromo-2-(trifluoromethoxy)pyridin-3-amine
CID 131631616
methyl 2-[5-amino-3-(aminomethyl)-6-(trifluoromethoxy)-2-pyridinyl]acetate
CID 133086099
6-(aminomethyl)-3-fluoro-2-(trifluoromethoxy)pyridin-4-amine
CID 118833524
ethyl 2-[5-amino-2-(aminomethyl)-6-(trifluoromethoxy)-3-pyridinyl]acetate
CID 133086160
3-(aminomethyl)-5-methoxy-6-(trifluoromethoxy)pyridin-2-amine
CID 118990870
[3,6-dimethyl-2-(trifluoromethoxy)-4-pyridinyl]methanamine
CID 131527479
6-(aminomethyl)-3-chloro-2-(trifluoromethoxy)pyridin-4-amine
CID 133085760
5-(aminomethyl)-4-fluoro-2-(trifluoromethoxy)pyridin-3-amine
CID 133086175
[3-amino-6-(aminomethyl)-2-(trifluoromethoxy)-4-pyridinyl]methanol
CID 133085846
[6-bromo-2-fluoro-3-(trifluoromethoxy)-4-pyridinyl]methanamine
CID 131571679
2-[5-amino-4-(aminomethyl)-6-(trifluoromethoxy)-2-pyridinyl]acetonitrile
CID 133086423
[6-bromo-3-chloro-2-(trifluoromethoxy)-4-pyridinyl]methanamine
CID 131465423

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-6-fluoro-2-(trifluoromethoxy)pyridin-3-amine?
The IUPAC name of 5-(aminomethyl)-6-fluoro-2-(trifluoromethoxy)pyridin-3-amine (CID 133086177) is 5-(aminomethyl)-6-fluoro-2-(trifluoromethoxy)pyridin-3-amine.
What is the SMILES notation for 5-(aminomethyl)-6-fluoro-2-(trifluoromethoxy)pyridin-3-amine?
The canonical SMILES for 5-(aminomethyl)-6-fluoro-2-(trifluoromethoxy)pyridin-3-amine is NCc1cc(N)c(OC(F)(F)F)nc1F.
What is the InChIKey of 5-(aminomethyl)-6-fluoro-2-(trifluoromethoxy)pyridin-3-amine?
The InChIKey is CGQWQHRXKWFAAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F4N3O/c8-5-3(2-12)1-4(13)6(14-5)15-7(9,10)11/h1H,2,12-13H2.
What are the key properties of 5-(aminomethyl)-6-fluoro-2-(trifluoromethoxy)pyridin-3-amine?
5-(aminomethyl)-6-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)-6-fluoro-2-(trifluoromethoxy)pyridin-3-amine is sourced from PubChem (CID 133086177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).