2-(aminomethyl)-4-(trifluoromethoxy)pyridine-3,5-diamine

C7H9F3N4O — CID 118825479

IUPAC2-(aminomethyl)-4-(trifluoromethoxy)pyridine-3,5-diamine
SMILESNCc1ncc(N)c(OC(F)(F)F)c1N
InChIInChI=1S/C7H9F3N4O/c8-7(9,10)15-6-3(12)2-14-4(1-11)5(6)13/h2H,1,11-13H2
InChIKeySBYOKYJWPNBUIX-UHFFFAOYSA-N
MW222.17 g/mol
LogP0.60
Rot. Bonds2

About 2-(aminomethyl)-4-(trifluoromethoxy)pyridine-3,5-diamine

2-(aminomethyl)-4-(trifluoromethoxy)pyridine-3,5-diamine (PubChem CID 118825479) has the molecular formula C7H9F3N4O and a molecular weight of 222.17 g/mol. Its IUPAC name is 2-(aminomethyl)-4-(trifluoromethoxy)pyridine-3,5-diamine.

Molecular Properties

Compound Name2-(aminomethyl)-4-(trifluoromethoxy)pyridine-3,5-diamine
PubChem CID118825479
Molecular FormulaC7H9F3N4O
Molecular Weight222.17 g/mol
Exact Mass222.07
IUPAC Name2-(aminomethyl)-4-(trifluoromethoxy)pyridine-3,5-diamine
SMILESNCc1ncc(N)c(OC(F)(F)F)c1N
InChIInChI=1S/C7H9F3N4O/c8-7(9,10)15-6-3(12)2-14-4(1-11)5(6)13/h2H,1,11-13H2
InChIKeySBYOKYJWPNBUIX-UHFFFAOYSA-N
XLogP0.60
TPSA100.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.17
LogP ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(aminomethyl)-5-methoxy-4-(trifluoromethoxy)pyridin-3-amine
CID 133086232
4-(trifluoromethoxy)pyridine-2,3,5-triamine
CID 118832073
2-(aminomethyl)-3-(trifluoromethoxy)-5-(trifluoromethyl)pyridin-4-amine
CID 118834085
2-(aminomethyl)-4-methyl-5-(trifluoromethoxy)pyridin-3-amine
CID 133086262
2-[3-amino-5-(aminomethyl)-4-(trifluoromethoxy)-2-pyridinyl]acetonitrile
CID 133085802
[3,5-difluoro-4-(trifluoromethoxy)-2-pyridinyl]methanamine
CID 130094304
4-(aminomethyl)-6-chloro-5-(trifluoromethoxy)pyridin-3-amine
CID 131601158
5-amino-6-(hydroxymethyl)-4-(trifluoromethoxy)pyridine-3-carbonitrile
CID 131600848
2-[3-(aminomethyl)-5-hydroxy-4-(trifluoromethoxy)-2-pyridinyl]acetic acid
CID 134680395
[5-(difluoromethyl)-4-(trifluoromethoxy)-3-(trifluoromethyl)-2-pyridinyl]methanamine
CID 134672562
2-[2-(aminomethyl)-4-(trifluoromethoxy)-5-(trifluoromethyl)-3-pyridinyl]acetonitrile
CID 118853894
6-amino-4-(aminomethyl)-5-(trifluoromethoxy)pyridin-3-ol
CID 119001508

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-4-(trifluoromethoxy)pyridine-3,5-diamine?
The IUPAC name of 2-(aminomethyl)-4-(trifluoromethoxy)pyridine-3,5-diamine (CID 118825479) is 2-(aminomethyl)-4-(trifluoromethoxy)pyridine-3,5-diamine.
What is the SMILES notation for 2-(aminomethyl)-4-(trifluoromethoxy)pyridine-3,5-diamine?
The canonical SMILES for 2-(aminomethyl)-4-(trifluoromethoxy)pyridine-3,5-diamine is NCc1ncc(N)c(OC(F)(F)F)c1N.
What is the InChIKey of 2-(aminomethyl)-4-(trifluoromethoxy)pyridine-3,5-diamine?
The InChIKey is SBYOKYJWPNBUIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N4O/c8-7(9,10)15-6-3(12)2-14-4(1-11)5(6)13/h2H,1,11-13H2.
What are the key properties of 2-(aminomethyl)-4-(trifluoromethoxy)pyridine-3,5-diamine?
2-(aminomethyl)-4-(trifluoromethoxy)pyridine-3,5-diamine has a molecular weight of 222.17 g/mol, XLogP of 0.60, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-4-(trifluoromethoxy)pyridine-3,5-diamine is sourced from PubChem (CID 118825479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).