6-methoxy-2-N-(5,5,5-trifluoropentyl)pyridine-2,3-diamine

C11H16F3N3O — CID 115515515

IUPAC6-methoxy-2-N-(5,5,5-trifluoropentyl)pyridine-2,3-diamine
SMILESCOc1ccc(N)c(NCCCCC(F)(F)F)n1
InChIInChI=1S/C11H16F3N3O/c1-18-9-5-4-8(15)10(17-9)16-7-3-2-6-11(12,13)14/h4-5H,2-3,6-7,15H2,1H3,(H,16,17)
InChIKeyNICXLKFGOFGREZ-UHFFFAOYSA-N
MW263.26 g/mol
LogP2.82
Rot. Bonds6

About 6-methoxy-2-N-(5,5,5-trifluoropentyl)pyridine-2,3-diamine

6-methoxy-2-N-(5,5,5-trifluoropentyl)pyridine-2,3-diamine (PubChem CID 115515515) has the molecular formula C11H16F3N3O and a molecular weight of 263.26 g/mol. Its IUPAC name is 6-methoxy-2-N-(5,5,5-trifluoropentyl)pyridine-2,3-diamine.

Molecular Properties

Compound Name6-methoxy-2-N-(5,5,5-trifluoropentyl)pyridine-2,3-diamine
PubChem CID115515515
Molecular FormulaC11H16F3N3O
Molecular Weight263.26 g/mol
Exact Mass263.12
IUPAC Name6-methoxy-2-N-(5,5,5-trifluoropentyl)pyridine-2,3-diamine
SMILESCOc1ccc(N)c(NCCCCC(F)(F)F)n1
InChIInChI=1S/C11H16F3N3O/c1-18-9-5-4-8(15)10(17-9)16-7-3-2-6-11(12,13)14/h4-5H,2-3,6-7,15H2,1H3,(H,16,17)
InChIKeyNICXLKFGOFGREZ-UHFFFAOYSA-N
XLogP2.82
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 6-methoxy-2-N-(5,5,5-trifluoropentyl)pyridine-2,3-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-methoxy-2-N-(3,3,3-trifluoropropyl)pyridine-2,3-diamine
CID 115320787
2-N-butyl-6-methoxypyridine-2,3-diamine
CID 115320288
2-[(3-amino-6-methoxy-2-pyridinyl)amino]ethanol;dihydrochloride
CID 3019251
6-chloro-2-N-(4,4,4-trifluorobutyl)pyridine-2,3-diamine
CID 115515354
6-methyl-2-N-(3,3,3-trifluoropropyl)pyridine-2,3-diamine
CID 81132933
6-methoxy-N-(4,4,4-trifluorobutyl)pyridin-3-amine
CID 115513408
6-methoxy-2-N-[2-(2-methylphenyl)ethyl]pyridine-2,3-diamine
CID 115320941
ethyl 3-[(3-amino-6-methoxy-2-pyridinyl)amino]propanoate
CID 113286520
6-methoxy-2-N-[(4-methoxyphenyl)methyl]pyridine-2,3-diamine
CID 115320291
6-methoxy-2-N-(2-methylprop-2-enyl)pyridine-2,3-diamine
CID 114615186
3-[2-[(3-amino-6-methoxy-2-pyridinyl)amino]ethyl]-1,1-dimethylurea
CID 83116624
6-methoxy-2-N-methylpyridine-2,3-diamine;hydrochloride
CID 22731600

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-N-(5,5,5-trifluoropentyl)pyridine-2,3-diamine?
The IUPAC name of 6-methoxy-2-N-(5,5,5-trifluoropentyl)pyridine-2,3-diamine (CID 115515515) is 6-methoxy-2-N-(5,5,5-trifluoropentyl)pyridine-2,3-diamine.
What is the SMILES notation for 6-methoxy-2-N-(5,5,5-trifluoropentyl)pyridine-2,3-diamine?
The canonical SMILES for 6-methoxy-2-N-(5,5,5-trifluoropentyl)pyridine-2,3-diamine is COc1ccc(N)c(NCCCCC(F)(F)F)n1.
What is the InChIKey of 6-methoxy-2-N-(5,5,5-trifluoropentyl)pyridine-2,3-diamine?
The InChIKey is NICXLKFGOFGREZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3O/c1-18-9-5-4-8(15)10(17-9)16-7-3-2-6-11(12,13)14/h4-5H,2-3,6-7,15H2,1H3,(H,16,17).
What are the key properties of 6-methoxy-2-N-(5,5,5-trifluoropentyl)pyridine-2,3-diamine?
6-methoxy-2-N-(5,5,5-trifluoropentyl)pyridine-2,3-diamine has a molecular weight of 263.26 g/mol, XLogP of 2.82, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-N-(5,5,5-trifluoropentyl)pyridine-2,3-diamine is sourced from PubChem (CID 115515515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).