6-(trifluoromethoxy)pyridine-2,3-diamine

C6H6F3N3O — CID 118991615

IUPAC6-(trifluoromethoxy)pyridine-2,3-diamine
SMILESNc1ccc(OC(F)(F)F)nc1N
InChIInChI=1S/C6H6F3N3O/c7-6(8,9)13-4-2-1-3(10)5(11)12-4/h1-2H,10H2,(H2,11,12)
InChIKeyKXXAJKAVTYLXLJ-UHFFFAOYSA-N
MW193.13 g/mol
LogP1.14
Rot. Bonds1

About 6-(trifluoromethoxy)pyridine-2,3-diamine

6-(trifluoromethoxy)pyridine-2,3-diamine (PubChem CID 118991615) has the molecular formula C6H6F3N3O and a molecular weight of 193.13 g/mol. Its IUPAC name is 6-(trifluoromethoxy)pyridine-2,3-diamine.

Molecular Properties

Compound Name6-(trifluoromethoxy)pyridine-2,3-diamine
PubChem CID118991615
Molecular FormulaC6H6F3N3O
Molecular Weight193.13 g/mol
Exact Mass193.05
IUPAC Name6-(trifluoromethoxy)pyridine-2,3-diamine
SMILESNc1ccc(OC(F)(F)F)nc1N
InChIInChI=1S/C6H6F3N3O/c7-6(8,9)13-4-2-1-3(10)5(11)12-4/h1-2H,10H2,(H2,11,12)
InChIKeyKXXAJKAVTYLXLJ-UHFFFAOYSA-N
XLogP1.14
TPSA74.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.13
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-6-(trifluoromethoxy)pyridine-3-carbonitrile
CID 119014677
3-fluoro-6-(trifluoromethoxy)pyridine-2,4-diamine
CID 119000437
ethyl 2-amino-6-(trifluoromethoxy)pyridine-3-carboxylate
CID 171028932
3,4-difluoro-6-(trifluoromethoxy)pyridin-2-amine
CID 130094119
2-fluoro-3-iodo-6-(trifluoromethoxy)pyridine
CID 130091976
[2-bromo-6-(trifluoromethoxy)-3-pyridinyl]methanamine
CID 130089420
[2-methyl-6-(trifluoromethoxy)-3-pyridinyl]methanamine
CID 130093233
2,4-diamino-6-(trifluoromethoxy)pyridine-3-carbonitrile
CID 133095435
2-methoxy-3-methyl-6-(trifluoromethoxy)pyridine
CID 130093123
6-(4-iodophenoxy)pyridine-2,3-diamine
CID 79826483
3-bromo-4-methyl-6-(trifluoromethoxy)pyridin-2-amine
CID 119020338
6-phenylmethoxypyridine-2,3-diamine
CID 67311804

Frequently Asked Questions

What is the IUPAC name of 6-(trifluoromethoxy)pyridine-2,3-diamine?
The IUPAC name of 6-(trifluoromethoxy)pyridine-2,3-diamine (CID 118991615) is 6-(trifluoromethoxy)pyridine-2,3-diamine.
What is the SMILES notation for 6-(trifluoromethoxy)pyridine-2,3-diamine?
The canonical SMILES for 6-(trifluoromethoxy)pyridine-2,3-diamine is Nc1ccc(OC(F)(F)F)nc1N.
What is the InChIKey of 6-(trifluoromethoxy)pyridine-2,3-diamine?
The InChIKey is KXXAJKAVTYLXLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F3N3O/c7-6(8,9)13-4-2-1-3(10)5(11)12-4/h1-2H,10H2,(H2,11,12).
What are the key properties of 6-(trifluoromethoxy)pyridine-2,3-diamine?
6-(trifluoromethoxy)pyridine-2,3-diamine has a molecular weight of 193.13 g/mol, XLogP of 1.14, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(trifluoromethoxy)pyridine-2,3-diamine is sourced from PubChem (CID 118991615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).