2-[4-(difluoromethoxy)phenyl]-7-pyrimidin-5-ylfuro[3,2-b]pyridine

C18H11F2N3O2 — CID 66779936

IUPAC2-[4-(difluoromethoxy)phenyl]-7-pyrimidin-5-ylfuro[3,2-b]pyridine
SMILESFC(F)Oc1ccc(-c2cc3nccc(-c4cncnc4)c3o2)cc1
InChIInChI=1S/C18H11F2N3O2/c19-18(20)24-13-3-1-11(2-4-13)16-7-15-17(25-16)14(5-6-23-15)12-8-21-10-22-9-12/h1-10,18H
InChIKeyVNJDRVHGYCREJS-UHFFFAOYSA-N
MW339.30 g/mol
LogP4.55
Rot. Bonds4

About 2-[4-(difluoromethoxy)phenyl]-7-pyrimidin-5-ylfuro[3,2-b]pyridine

2-[4-(difluoromethoxy)phenyl]-7-pyrimidin-5-ylfuro[3,2-b]pyridine (PubChem CID 66779936) has the molecular formula C18H11F2N3O2 and a molecular weight of 339.30 g/mol. Its IUPAC name is 2-[4-(difluoromethoxy)phenyl]-7-pyrimidin-5-ylfuro[3,2-b]pyridine.

Molecular Properties

Compound Name2-[4-(difluoromethoxy)phenyl]-7-pyrimidin-5-ylfuro[3,2-b]pyridine
PubChem CID66779936
Molecular FormulaC18H11F2N3O2
Molecular Weight339.30 g/mol
Exact Mass339.08
IUPAC Name2-[4-(difluoromethoxy)phenyl]-7-pyrimidin-5-ylfuro[3,2-b]pyridine
SMILESFC(F)Oc1ccc(-c2cc3nccc(-c4cncnc4)c3o2)cc1
InChIInChI=1S/C18H11F2N3O2/c19-18(20)24-13-3-1-11(2-4-13)16-7-15-17(25-16)14(5-6-23-15)12-8-21-10-22-9-12/h1-10,18H
InChIKeyVNJDRVHGYCREJS-UHFFFAOYSA-N
XLogP4.55
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.30
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethoxy)phenyl]-7-pyrimidin-5-ylfuro[3,2-b]pyridine?
The IUPAC name of 2-[4-(difluoromethoxy)phenyl]-7-pyrimidin-5-ylfuro[3,2-b]pyridine (CID 66779936) is 2-[4-(difluoromethoxy)phenyl]-7-pyrimidin-5-ylfuro[3,2-b]pyridine.
What is the SMILES notation for 2-[4-(difluoromethoxy)phenyl]-7-pyrimidin-5-ylfuro[3,2-b]pyridine?
The canonical SMILES for 2-[4-(difluoromethoxy)phenyl]-7-pyrimidin-5-ylfuro[3,2-b]pyridine is FC(F)Oc1ccc(-c2cc3nccc(-c4cncnc4)c3o2)cc1.
What is the InChIKey of 2-[4-(difluoromethoxy)phenyl]-7-pyrimidin-5-ylfuro[3,2-b]pyridine?
The InChIKey is VNJDRVHGYCREJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F2N3O2/c19-18(20)24-13-3-1-11(2-4-13)16-7-15-17(25-16)14(5-6-23-15)12-8-21-10-22-9-12/h1-10,18H.
What are the key properties of 2-[4-(difluoromethoxy)phenyl]-7-pyrimidin-5-ylfuro[3,2-b]pyridine?
2-[4-(difluoromethoxy)phenyl]-7-pyrimidin-5-ylfuro[3,2-b]pyridine has a molecular weight of 339.30 g/mol, XLogP of 4.55, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(difluoromethoxy)phenyl]-7-pyrimidin-5-ylfuro[3,2-b]pyridine is sourced from PubChem (CID 66779936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).