4-chloro-2-[[3-(trifluoromethyl)phenyl]methyl]furo[3,2-c]pyridine

C15H9ClF3NO — CID 86639179

IUPAC4-chloro-2-[[3-(trifluoromethyl)phenyl]methyl]furo[3,2-c]pyridine
SMILESFC(F)(F)c1cccc(Cc2cc3c(Cl)nccc3o2)c1
InChIInChI=1S/C15H9ClF3NO/c16-14-12-8-11(21-13(12)4-5-20-14)7-9-2-1-3-10(6-9)15(17,18)19/h1-6,8H,7H2
InChIKeyYHODTHOONMHQAA-UHFFFAOYSA-N
MW311.69 g/mol
LogP5.09
Rot. Bonds2

About 4-chloro-2-[[3-(trifluoromethyl)phenyl]methyl]furo[3,2-c]pyridine

4-chloro-2-[[3-(trifluoromethyl)phenyl]methyl]furo[3,2-c]pyridine (PubChem CID 86639179) has the molecular formula C15H9ClF3NO and a molecular weight of 311.69 g/mol. Its IUPAC name is 4-chloro-2-[[3-(trifluoromethyl)phenyl]methyl]furo[3,2-c]pyridine.

Molecular Properties

Compound Name4-chloro-2-[[3-(trifluoromethyl)phenyl]methyl]furo[3,2-c]pyridine
PubChem CID86639179
Molecular FormulaC15H9ClF3NO
Molecular Weight311.69 g/mol
Exact Mass311.03
IUPAC Name4-chloro-2-[[3-(trifluoromethyl)phenyl]methyl]furo[3,2-c]pyridine
SMILESFC(F)(F)c1cccc(Cc2cc3c(Cl)nccc3o2)c1
InChIInChI=1S/C15H9ClF3NO/c16-14-12-8-11(21-13(12)4-5-20-14)7-9-2-1-3-10(6-9)15(17,18)19/h1-6,8H,7H2
InChIKeyYHODTHOONMHQAA-UHFFFAOYSA-N
XLogP5.09
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.69
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[[3-(trifluoromethyl)phenyl]methyl]furo[3,2-c]pyridine?
The IUPAC name of 4-chloro-2-[[3-(trifluoromethyl)phenyl]methyl]furo[3,2-c]pyridine (CID 86639179) is 4-chloro-2-[[3-(trifluoromethyl)phenyl]methyl]furo[3,2-c]pyridine.
What is the SMILES notation for 4-chloro-2-[[3-(trifluoromethyl)phenyl]methyl]furo[3,2-c]pyridine?
The canonical SMILES for 4-chloro-2-[[3-(trifluoromethyl)phenyl]methyl]furo[3,2-c]pyridine is FC(F)(F)c1cccc(Cc2cc3c(Cl)nccc3o2)c1.
What is the InChIKey of 4-chloro-2-[[3-(trifluoromethyl)phenyl]methyl]furo[3,2-c]pyridine?
The InChIKey is YHODTHOONMHQAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClF3NO/c16-14-12-8-11(21-13(12)4-5-20-14)7-9-2-1-3-10(6-9)15(17,18)19/h1-6,8H,7H2.
What are the key properties of 4-chloro-2-[[3-(trifluoromethyl)phenyl]methyl]furo[3,2-c]pyridine?
4-chloro-2-[[3-(trifluoromethyl)phenyl]methyl]furo[3,2-c]pyridine has a molecular weight of 311.69 g/mol, XLogP of 5.09, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[[3-(trifluoromethyl)phenyl]methyl]furo[3,2-c]pyridine is sourced from PubChem (CID 86639179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).