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

C15H9ClF3NO — CID 87301885

IUPAC7-chloro-2-[[3-(trifluoromethyl)phenyl]methyl]furo[2,3-c]pyridine
SMILESFC(F)(F)c1cccc(Cc2cc3ccnc(Cl)c3o2)c1
InChIInChI=1S/C15H9ClF3NO/c16-14-13-10(4-5-20-14)8-12(21-13)7-9-2-1-3-11(6-9)15(17,18)19/h1-6,8H,7H2
InChIKeyXOVZXXAUCJWZSC-UHFFFAOYSA-N
MW311.69 g/mol
LogP5.09
Rot. Bonds2

About 7-chloro-2-[[3-(trifluoromethyl)phenyl]methyl]furo[2,3-c]pyridine

7-chloro-2-[[3-(trifluoromethyl)phenyl]methyl]furo[2,3-c]pyridine (PubChem CID 87301885) has the molecular formula C15H9ClF3NO and a molecular weight of 311.69 g/mol. Its IUPAC name is 7-chloro-2-[[3-(trifluoromethyl)phenyl]methyl]furo[2,3-c]pyridine.

Molecular Properties

Compound Name7-chloro-2-[[3-(trifluoromethyl)phenyl]methyl]furo[2,3-c]pyridine
PubChem CID87301885
Molecular FormulaC15H9ClF3NO
Molecular Weight311.69 g/mol
Exact Mass311.03
IUPAC Name7-chloro-2-[[3-(trifluoromethyl)phenyl]methyl]furo[2,3-c]pyridine
SMILESFC(F)(F)c1cccc(Cc2cc3ccnc(Cl)c3o2)c1
InChIInChI=1S/C15H9ClF3NO/c16-14-13-10(4-5-20-14)8-12(21-13)7-9-2-1-3-11(6-9)15(17,18)19/h1-6,8H,7H2
InChIKeyXOVZXXAUCJWZSC-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 7-chloro-2-[[3-(trifluoromethyl)phenyl]methyl]furo[2,3-c]pyridine?
The IUPAC name of 7-chloro-2-[[3-(trifluoromethyl)phenyl]methyl]furo[2,3-c]pyridine (CID 87301885) is 7-chloro-2-[[3-(trifluoromethyl)phenyl]methyl]furo[2,3-c]pyridine.
What is the SMILES notation for 7-chloro-2-[[3-(trifluoromethyl)phenyl]methyl]furo[2,3-c]pyridine?
The canonical SMILES for 7-chloro-2-[[3-(trifluoromethyl)phenyl]methyl]furo[2,3-c]pyridine is FC(F)(F)c1cccc(Cc2cc3ccnc(Cl)c3o2)c1.
What is the InChIKey of 7-chloro-2-[[3-(trifluoromethyl)phenyl]methyl]furo[2,3-c]pyridine?
The InChIKey is XOVZXXAUCJWZSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClF3NO/c16-14-13-10(4-5-20-14)8-12(21-13)7-9-2-1-3-11(6-9)15(17,18)19/h1-6,8H,7H2.
What are the key properties of 7-chloro-2-[[3-(trifluoromethyl)phenyl]methyl]furo[2,3-c]pyridine?
7-chloro-2-[[3-(trifluoromethyl)phenyl]methyl]furo[2,3-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 7-chloro-2-[[3-(trifluoromethyl)phenyl]methyl]furo[2,3-c]pyridine is sourced from PubChem (CID 87301885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).