4-(3-chloro-4-fluorophenyl)-7-(2,3,4-trifluorophenyl)furo[2,3-c]pyridine-2,3-diamine

C19H10ClF4N3O — CID 118870975

IUPAC4-(3-chloro-4-fluorophenyl)-7-(2,3,4-trifluorophenyl)furo[2,3-c]pyridine-2,3-diamine
SMILESNc1oc2c(-c3ccc(F)c(F)c3F)ncc(-c3ccc(F)c(Cl)c3)c2c1N
InChIInChI=1S/C19H10ClF4N3O/c20-10-5-7(1-3-11(10)21)9-6-27-17(18-13(9)16(25)19(26)28-18)8-2-4-12(22)15(24)14(8)23/h1-6H,25-26H2
InChIKeyCDTCJMMYEJUSGR-UHFFFAOYSA-N
MW407.75 g/mol
LogP5.54
Rot. Bonds2

About 4-(3-chloro-4-fluorophenyl)-7-(2,3,4-trifluorophenyl)furo[2,3-c]pyridine-2,3-diamine

4-(3-chloro-4-fluorophenyl)-7-(2,3,4-trifluorophenyl)furo[2,3-c]pyridine-2,3-diamine (PubChem CID 118870975) has the molecular formula C19H10ClF4N3O and a molecular weight of 407.75 g/mol. Its IUPAC name is 4-(3-chloro-4-fluorophenyl)-7-(2,3,4-trifluorophenyl)furo[2,3-c]pyridine-2,3-diamine.

Molecular Properties

Compound Name4-(3-chloro-4-fluorophenyl)-7-(2,3,4-trifluorophenyl)furo[2,3-c]pyridine-2,3-diamine
PubChem CID118870975
Molecular FormulaC19H10ClF4N3O
Molecular Weight407.75 g/mol
Exact Mass407.04
IUPAC Name4-(3-chloro-4-fluorophenyl)-7-(2,3,4-trifluorophenyl)furo[2,3-c]pyridine-2,3-diamine
SMILESNc1oc2c(-c3ccc(F)c(F)c3F)ncc(-c3ccc(F)c(Cl)c3)c2c1N
InChIInChI=1S/C19H10ClF4N3O/c20-10-5-7(1-3-11(10)21)9-6-27-17(18-13(9)16(25)19(26)28-18)8-2-4-12(22)15(24)14(8)23/h1-6H,25-26H2
InChIKeyCDTCJMMYEJUSGR-UHFFFAOYSA-N
XLogP5.54
TPSA78.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.75
LogP ≤ 55.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(3-chloro-4-fluorophenyl)-7-(2,3,4-trifluorophenyl)furo[2,3-c]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

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-4-fluorophenyl)-7-(2,3,4-trifluorophenyl)furo[2,3-c]pyridine-2,3-diamine?
The IUPAC name of 4-(3-chloro-4-fluorophenyl)-7-(2,3,4-trifluorophenyl)furo[2,3-c]pyridine-2,3-diamine (CID 118870975) is 4-(3-chloro-4-fluorophenyl)-7-(2,3,4-trifluorophenyl)furo[2,3-c]pyridine-2,3-diamine.
What is the SMILES notation for 4-(3-chloro-4-fluorophenyl)-7-(2,3,4-trifluorophenyl)furo[2,3-c]pyridine-2,3-diamine?
The canonical SMILES for 4-(3-chloro-4-fluorophenyl)-7-(2,3,4-trifluorophenyl)furo[2,3-c]pyridine-2,3-diamine is Nc1oc2c(-c3ccc(F)c(F)c3F)ncc(-c3ccc(F)c(Cl)c3)c2c1N.
What is the InChIKey of 4-(3-chloro-4-fluorophenyl)-7-(2,3,4-trifluorophenyl)furo[2,3-c]pyridine-2,3-diamine?
The InChIKey is CDTCJMMYEJUSGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H10ClF4N3O/c20-10-5-7(1-3-11(10)21)9-6-27-17(18-13(9)16(25)19(26)28-18)8-2-4-12(22)15(24)14(8)23/h1-6H,25-26H2.
What are the key properties of 4-(3-chloro-4-fluorophenyl)-7-(2,3,4-trifluorophenyl)furo[2,3-c]pyridine-2,3-diamine?
4-(3-chloro-4-fluorophenyl)-7-(2,3,4-trifluorophenyl)furo[2,3-c]pyridine-2,3-diamine has a molecular weight of 407.75 g/mol, XLogP of 5.54, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-4-fluorophenyl)-7-(2,3,4-trifluorophenyl)furo[2,3-c]pyridine-2,3-diamine is sourced from PubChem (CID 118870975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).