6-propoxy-2-N-(2,3,4-trifluorophenyl)pyridine-2,5-diamine

C14H14F3N3O — CID 43261407

IUPAC6-propoxy-2-N-(2,3,4-trifluorophenyl)pyridine-2,5-diamine
SMILESCCCOc1nc(Nc2ccc(F)c(F)c2F)ccc1N
InChIInChI=1S/C14H14F3N3O/c1-2-7-21-14-9(18)4-6-11(20-14)19-10-5-3-8(15)12(16)13(10)17/h3-6H,2,7,18H2,1H3,(H,19,20)
InChIKeyKYJCRJPVXMERDV-UHFFFAOYSA-N
MW297.28 g/mol
LogP3.61
Rot. Bonds5

About 6-propoxy-2-N-(2,3,4-trifluorophenyl)pyridine-2,5-diamine

6-propoxy-2-N-(2,3,4-trifluorophenyl)pyridine-2,5-diamine (PubChem CID 43261407) has the molecular formula C14H14F3N3O and a molecular weight of 297.28 g/mol. Its IUPAC name is 6-propoxy-2-N-(2,3,4-trifluorophenyl)pyridine-2,5-diamine.

Molecular Properties

Compound Name6-propoxy-2-N-(2,3,4-trifluorophenyl)pyridine-2,5-diamine
PubChem CID43261407
Molecular FormulaC14H14F3N3O
Molecular Weight297.28 g/mol
Exact Mass297.11
IUPAC Name6-propoxy-2-N-(2,3,4-trifluorophenyl)pyridine-2,5-diamine
SMILESCCCOc1nc(Nc2ccc(F)c(F)c2F)ccc1N
InChIInChI=1S/C14H14F3N3O/c1-2-7-21-14-9(18)4-6-11(20-14)19-10-5-3-8(15)12(16)13(10)17/h3-6H,2,7,18H2,1H3,(H,19,20)
InChIKeyKYJCRJPVXMERDV-UHFFFAOYSA-N
XLogP3.61
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.28
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 6-propoxy-2-N-(2,3,4-trifluorophenyl)pyridine-2,5-diamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-propoxy-2-N-(2,3,4-trifluorophenyl)pyridine-2,5-diamine?
The IUPAC name of 6-propoxy-2-N-(2,3,4-trifluorophenyl)pyridine-2,5-diamine (CID 43261407) is 6-propoxy-2-N-(2,3,4-trifluorophenyl)pyridine-2,5-diamine.
What is the SMILES notation for 6-propoxy-2-N-(2,3,4-trifluorophenyl)pyridine-2,5-diamine?
The canonical SMILES for 6-propoxy-2-N-(2,3,4-trifluorophenyl)pyridine-2,5-diamine is CCCOc1nc(Nc2ccc(F)c(F)c2F)ccc1N.
What is the InChIKey of 6-propoxy-2-N-(2,3,4-trifluorophenyl)pyridine-2,5-diamine?
The InChIKey is KYJCRJPVXMERDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3O/c1-2-7-21-14-9(18)4-6-11(20-14)19-10-5-3-8(15)12(16)13(10)17/h3-6H,2,7,18H2,1H3,(H,19,20).
What are the key properties of 6-propoxy-2-N-(2,3,4-trifluorophenyl)pyridine-2,5-diamine?
6-propoxy-2-N-(2,3,4-trifluorophenyl)pyridine-2,5-diamine has a molecular weight of 297.28 g/mol, XLogP of 3.61, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propoxy-2-N-(2,3,4-trifluorophenyl)pyridine-2,5-diamine is sourced from PubChem (CID 43261407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).