6-[5-(3,5-difluorophenyl)furan-2-yl]pyridine-3-carboximidamide

C16H11F2N3O — CID 164946286

IUPAC6-[5-(3,5-difluorophenyl)furan-2-yl]pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1ccc(-c2ccc(-c3cc(F)cc(F)c3)o2)nc1
InChIInChI=1S/C16H11F2N3O/c17-11-5-10(6-12(18)7-11)14-3-4-15(22-14)13-2-1-9(8-21-13)16(19)20/h1-8H,(H3,19,20)
InChIKeyIXDXXKCDULBTHK-UHFFFAOYSA-N
MW299.28 g/mol
LogP3.57
Rot. Bonds3

About 6-[5-(3,5-difluorophenyl)furan-2-yl]pyridine-3-carboximidamide

6-[5-(3,5-difluorophenyl)furan-2-yl]pyridine-3-carboximidamide (PubChem CID 164946286) has the molecular formula C16H11F2N3O and a molecular weight of 299.28 g/mol. Its IUPAC name is 6-[5-(3,5-difluorophenyl)furan-2-yl]pyridine-3-carboximidamide.

Molecular Properties

Compound Name6-[5-(3,5-difluorophenyl)furan-2-yl]pyridine-3-carboximidamide
PubChem CID164946286
Molecular FormulaC16H11F2N3O
Molecular Weight299.28 g/mol
Exact Mass299.09
IUPAC Name6-[5-(3,5-difluorophenyl)furan-2-yl]pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1ccc(-c2ccc(-c3cc(F)cc(F)c3)o2)nc1
InChIInChI=1S/C16H11F2N3O/c17-11-5-10(6-12(18)7-11)14-3-4-15(22-14)13-2-1-9(8-21-13)16(19)20/h1-8H,(H3,19,20)
InChIKeyIXDXXKCDULBTHK-UHFFFAOYSA-N
XLogP3.57
TPSA75.90 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.28
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[5-(3,5-difluorophenyl)furan-2-yl]pyridine-3-carboximidamide?
The IUPAC name of 6-[5-(3,5-difluorophenyl)furan-2-yl]pyridine-3-carboximidamide (CID 164946286) is 6-[5-(3,5-difluorophenyl)furan-2-yl]pyridine-3-carboximidamide.
What is the SMILES notation for 6-[5-(3,5-difluorophenyl)furan-2-yl]pyridine-3-carboximidamide?
The canonical SMILES for 6-[5-(3,5-difluorophenyl)furan-2-yl]pyridine-3-carboximidamide is [H]/N=C(\N)c1ccc(-c2ccc(-c3cc(F)cc(F)c3)o2)nc1.
What is the InChIKey of 6-[5-(3,5-difluorophenyl)furan-2-yl]pyridine-3-carboximidamide?
The InChIKey is IXDXXKCDULBTHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F2N3O/c17-11-5-10(6-12(18)7-11)14-3-4-15(22-14)13-2-1-9(8-21-13)16(19)20/h1-8H,(H3,19,20).
What are the key properties of 6-[5-(3,5-difluorophenyl)furan-2-yl]pyridine-3-carboximidamide?
6-[5-(3,5-difluorophenyl)furan-2-yl]pyridine-3-carboximidamide has a molecular weight of 299.28 g/mol, XLogP of 3.57, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(3,5-difluorophenyl)furan-2-yl]pyridine-3-carboximidamide is sourced from PubChem (CID 164946286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).