6-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-furan-3-yl]pyridine-3-carboxylic acid

C17H10Cl2F3NO3 — CID 67374274

IUPAC6-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-furan-3-yl]pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(C2=CC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)OC2)nc1
InChIInChI=1S/C17H10Cl2F3NO3/c18-12-3-11(4-13(19)5-12)16(17(20,21)22)6-10(8-26-16)14-2-1-9(7-23-14)15(24)25/h1-7H,8H2,(H,24,25)
InChIKeyFSOCKFBEWWNONI-UHFFFAOYSA-N
MW404.17 g/mol
LogP4.96
Rot. Bonds3

About 6-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-furan-3-yl]pyridine-3-carboxylic acid

6-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-furan-3-yl]pyridine-3-carboxylic acid (PubChem CID 67374274) has the molecular formula C17H10Cl2F3NO3 and a molecular weight of 404.17 g/mol. Its IUPAC name is 6-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-furan-3-yl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-furan-3-yl]pyridine-3-carboxylic acid
PubChem CID67374274
Molecular FormulaC17H10Cl2F3NO3
Molecular Weight404.17 g/mol
Exact Mass403.00
IUPAC Name6-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-furan-3-yl]pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(C2=CC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)OC2)nc1
InChIInChI=1S/C17H10Cl2F3NO3/c18-12-3-11(4-13(19)5-12)16(17(20,21)22)6-10(8-26-16)14-2-1-9(7-23-14)15(24)25/h1-7H,8H2,(H,24,25)
InChIKeyFSOCKFBEWWNONI-UHFFFAOYSA-N
XLogP4.96
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.17
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-furan-3-yl]pyridine-3-carboxylic acid?
The IUPAC name of 6-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-furan-3-yl]pyridine-3-carboxylic acid (CID 67374274) is 6-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-furan-3-yl]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-furan-3-yl]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-furan-3-yl]pyridine-3-carboxylic acid is O=C(O)c1ccc(C2=CC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)OC2)nc1.
What is the InChIKey of 6-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-furan-3-yl]pyridine-3-carboxylic acid?
The InChIKey is FSOCKFBEWWNONI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10Cl2F3NO3/c18-12-3-11(4-13(19)5-12)16(17(20,21)22)6-10(8-26-16)14-2-1-9(7-23-14)15(24)25/h1-7H,8H2,(H,24,25).
What are the key properties of 6-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-furan-3-yl]pyridine-3-carboxylic acid?
6-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-furan-3-yl]pyridine-3-carboxylic acid has a molecular weight of 404.17 g/mol, XLogP of 4.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-furan-3-yl]pyridine-3-carboxylic acid is sourced from PubChem (CID 67374274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).