6-methoxy-2-N-(3,3,3-trifluoropropyl)pyridine-2,3-diamine

C9H12F3N3O — CID 115320787

IUPAC6-methoxy-2-N-(3,3,3-trifluoropropyl)pyridine-2,3-diamine
SMILESCOc1ccc(N)c(NCCC(F)(F)F)n1
InChIInChI=1S/C9H12F3N3O/c1-16-7-3-2-6(13)8(15-7)14-5-4-9(10,11)12/h2-3H,4-5,13H2,1H3,(H,14,15)
InChIKeyLXJWDAGLWKVIQG-UHFFFAOYSA-N
MW235.21 g/mol
LogP2.04
Rot. Bonds4

About 6-methoxy-2-N-(3,3,3-trifluoropropyl)pyridine-2,3-diamine

6-methoxy-2-N-(3,3,3-trifluoropropyl)pyridine-2,3-diamine (PubChem CID 115320787) has the molecular formula C9H12F3N3O and a molecular weight of 235.21 g/mol. Its IUPAC name is 6-methoxy-2-N-(3,3,3-trifluoropropyl)pyridine-2,3-diamine.

Molecular Properties

Compound Name6-methoxy-2-N-(3,3,3-trifluoropropyl)pyridine-2,3-diamine
PubChem CID115320787
Molecular FormulaC9H12F3N3O
Molecular Weight235.21 g/mol
Exact Mass235.09
IUPAC Name6-methoxy-2-N-(3,3,3-trifluoropropyl)pyridine-2,3-diamine
SMILESCOc1ccc(N)c(NCCC(F)(F)F)n1
InChIInChI=1S/C9H12F3N3O/c1-16-7-3-2-6(13)8(15-7)14-5-4-9(10,11)12/h2-3H,4-5,13H2,1H3,(H,14,15)
InChIKeyLXJWDAGLWKVIQG-UHFFFAOYSA-N
XLogP2.04
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.21
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-N-(3,3,3-trifluoropropyl)pyridine-2,3-diamine?
The IUPAC name of 6-methoxy-2-N-(3,3,3-trifluoropropyl)pyridine-2,3-diamine (CID 115320787) is 6-methoxy-2-N-(3,3,3-trifluoropropyl)pyridine-2,3-diamine.
What is the SMILES notation for 6-methoxy-2-N-(3,3,3-trifluoropropyl)pyridine-2,3-diamine?
The canonical SMILES for 6-methoxy-2-N-(3,3,3-trifluoropropyl)pyridine-2,3-diamine is COc1ccc(N)c(NCCC(F)(F)F)n1.
What is the InChIKey of 6-methoxy-2-N-(3,3,3-trifluoropropyl)pyridine-2,3-diamine?
The InChIKey is LXJWDAGLWKVIQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3O/c1-16-7-3-2-6(13)8(15-7)14-5-4-9(10,11)12/h2-3H,4-5,13H2,1H3,(H,14,15).
What are the key properties of 6-methoxy-2-N-(3,3,3-trifluoropropyl)pyridine-2,3-diamine?
6-methoxy-2-N-(3,3,3-trifluoropropyl)pyridine-2,3-diamine has a molecular weight of 235.21 g/mol, XLogP of 2.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-N-(3,3,3-trifluoropropyl)pyridine-2,3-diamine is sourced from PubChem (CID 115320787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).