7-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-(1H-pyrrol-2-yl)furo[3,2-c]pyridin-6-amine

C19H14Cl2FN3O2 — CID 76618458

About 7-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-(1H-pyrrol-2-yl)furo[3,2-c]pyridin-6-amine

7-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-(1H-pyrrol-2-yl)furo[3,2-c]pyridin-6-amine (PubChem CID 76618458) has the molecular formula C19H14Cl2FN3O2 and a molecular weight of 406.24 g/mol. Its IUPAC name is 7-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-(1H-pyrrol-2-yl)furo[3,2-c]pyridin-6-amine.

Molecular Properties

• Compound Name: 7-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-(1H-pyrrol-2-yl)furo[3,2-c]pyridin-6-amine
• PubChem CID: 76618458
• Molecular Formula: C19H14Cl2FN3O2
• Molecular Weight: 406.24 g/mol
• Exact Mass: 405.04
• IUPAC Name: 7-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-(1H-pyrrol-2-yl)furo[3,2-c]pyridin-6-amine
• SMILES: CC(Oc1c(N)ncc2c(-c3ccc[nH]3)coc12)c1c(Cl)ccc(F)c1Cl
• InChI: InChI=1S/C19H14Cl2FN3O2/c1-9(15-12(20)4-5-13(22)16(15)21)27-18-17-10(7-25-19(18)23)11(8-26-17)14-3-2-6-24-14/h2-9,24H,1H3,(H2,23,25)
• InChIKey: LXESBNKNLCITDM-UHFFFAOYSA-N
• XLogP: 5.99
• TPSA: 77.07 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	406.24
LogP ≤ 5	5.99
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 7-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-(1H-pyrrol-2-yl)furo[3,2-c]pyridin-6-amine?

The IUPAC name of 7-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-(1H-pyrrol-2-yl)furo[3,2-c]pyridin-6-amine (CID 76618458) is 7-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-(1H-pyrrol-2-yl)furo[3,2-c]pyridin-6-amine.

What is the SMILES notation for 7-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-(1H-pyrrol-2-yl)furo[3,2-c]pyridin-6-amine?

The canonical SMILES for 7-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-(1H-pyrrol-2-yl)furo[3,2-c]pyridin-6-amine is CC(Oc1c(N)ncc2c(-c3ccc[nH]3)coc12)c1c(Cl)ccc(F)c1Cl.

What is the InChIKey of 7-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-(1H-pyrrol-2-yl)furo[3,2-c]pyridin-6-amine?

The InChIKey is LXESBNKNLCITDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14Cl2FN3O2/c1-9(15-12(20)4-5-13(22)16(15)21)27-18-17-10(7-25-19(18)23)11(8-26-17)14-3-2-6-24-14/h2-9,24H,1H3,(H2,23,25).

What are the key properties of 7-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-(1H-pyrrol-2-yl)furo[3,2-c]pyridin-6-amine?

7-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-(1H-pyrrol-2-yl)furo[3,2-c]pyridin-6-amine has a molecular weight of 406.24 g/mol, XLogP of 5.99, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-(1H-pyrrol-2-yl)furo[3,2-c]pyridin-6-amine is sourced from PubChem (CID 76618458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).