N-(3,5-dichloro-1-hydroxy-4-pyridinylidene)-6-(difluoromethoxy)-[1]benzofuro[3,2-c]pyridine-9-carboxamide

C18H9Cl2F2N3O4 — CID 11546664

IUPACN-(3,5-dichloro-1-hydroxy-4-pyridinylidene)-6-(difluoromethoxy)-[1]benzofuro[3,2-c]pyridine-9-carboxamide
SMILESO=C(N=c1c(Cl)cn(O)cc1Cl)c1ccc(OC(F)F)c2oc3ccncc3c12
InChIInChI=1S/C18H9Cl2F2N3O4/c19-10-6-25(27)7-11(20)15(10)24-17(26)8-1-2-13(29-18(21)22)16-14(8)9-5-23-4-3-12(9)28-16/h1-7,18,27H
InChIKeyCFRXVFRHMZLQBS-UHFFFAOYSA-N
MW440.19 g/mol
LogP4.67
Rot. Bonds3

About N-(3,5-dichloro-1-hydroxy-4-pyridinylidene)-6-(difluoromethoxy)-[1]benzofuro[3,2-c]pyridine-9-carboxamide

N-(3,5-dichloro-1-hydroxy-4-pyridinylidene)-6-(difluoromethoxy)-[1]benzofuro[3,2-c]pyridine-9-carboxamide (PubChem CID 11546664) has the molecular formula C18H9Cl2F2N3O4 and a molecular weight of 440.19 g/mol. Its IUPAC name is N-(3,5-dichloro-1-hydroxy-4-pyridinylidene)-6-(difluoromethoxy)-[1]benzofuro[3,2-c]pyridine-9-carboxamide.

Molecular Properties

Compound NameN-(3,5-dichloro-1-hydroxy-4-pyridinylidene)-6-(difluoromethoxy)-[1]benzofuro[3,2-c]pyridine-9-carboxamide
PubChem CID11546664
Molecular FormulaC18H9Cl2F2N3O4
Molecular Weight440.19 g/mol
Exact Mass438.99
IUPAC NameN-(3,5-dichloro-1-hydroxy-4-pyridinylidene)-6-(difluoromethoxy)-[1]benzofuro[3,2-c]pyridine-9-carboxamide
SMILESO=C(N=c1c(Cl)cn(O)cc1Cl)c1ccc(OC(F)F)c2oc3ccncc3c12
InChIInChI=1S/C18H9Cl2F2N3O4/c19-10-6-25(27)7-11(20)15(10)24-17(26)8-1-2-13(29-18(21)22)16-14(8)9-5-23-4-3-12(9)28-16/h1-7,18,27H
InChIKeyCFRXVFRHMZLQBS-UHFFFAOYSA-N
XLogP4.67
TPSA89.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.19
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichloro-1-hydroxy-4-pyridinylidene)-6-(difluoromethoxy)-[1]benzofuro[3,2-c]pyridine-9-carboxamide?
The IUPAC name of N-(3,5-dichloro-1-hydroxy-4-pyridinylidene)-6-(difluoromethoxy)-[1]benzofuro[3,2-c]pyridine-9-carboxamide (CID 11546664) is N-(3,5-dichloro-1-hydroxy-4-pyridinylidene)-6-(difluoromethoxy)-[1]benzofuro[3,2-c]pyridine-9-carboxamide.
What is the SMILES notation for N-(3,5-dichloro-1-hydroxy-4-pyridinylidene)-6-(difluoromethoxy)-[1]benzofuro[3,2-c]pyridine-9-carboxamide?
The canonical SMILES for N-(3,5-dichloro-1-hydroxy-4-pyridinylidene)-6-(difluoromethoxy)-[1]benzofuro[3,2-c]pyridine-9-carboxamide is O=C(N=c1c(Cl)cn(O)cc1Cl)c1ccc(OC(F)F)c2oc3ccncc3c12.
What is the InChIKey of N-(3,5-dichloro-1-hydroxy-4-pyridinylidene)-6-(difluoromethoxy)-[1]benzofuro[3,2-c]pyridine-9-carboxamide?
The InChIKey is CFRXVFRHMZLQBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H9Cl2F2N3O4/c19-10-6-25(27)7-11(20)15(10)24-17(26)8-1-2-13(29-18(21)22)16-14(8)9-5-23-4-3-12(9)28-16/h1-7,18,27H.
What are the key properties of N-(3,5-dichloro-1-hydroxy-4-pyridinylidene)-6-(difluoromethoxy)-[1]benzofuro[3,2-c]pyridine-9-carboxamide?
N-(3,5-dichloro-1-hydroxy-4-pyridinylidene)-6-(difluoromethoxy)-[1]benzofuro[3,2-c]pyridine-9-carboxamide has a molecular weight of 440.19 g/mol, XLogP of 4.67, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichloro-1-hydroxy-4-pyridinylidene)-6-(difluoromethoxy)-[1]benzofuro[3,2-c]pyridine-9-carboxamide is sourced from PubChem (CID 11546664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).