2-[3,5-bis(trifluoromethyl)phenyl]-7-chlorofuro[2,3-c]pyridine

C15H6ClF6NO — CID 86662406

IUPAC2-[3,5-bis(trifluoromethyl)phenyl]-7-chlorofuro[2,3-c]pyridine
SMILESFC(F)(F)c1cc(-c2cc3ccnc(Cl)c3o2)cc(C(F)(F)F)c1
InChIInChI=1S/C15H6ClF6NO/c16-13-12-7(1-2-23-13)5-11(24-12)8-3-9(14(17,18)19)6-10(4-8)15(20,21)22/h1-6H
InChIKeyKPATUQAGKWANCM-UHFFFAOYSA-N
MW365.66 g/mol
LogP6.19
Rot. Bonds1

About 2-[3,5-bis(trifluoromethyl)phenyl]-7-chlorofuro[2,3-c]pyridine

2-[3,5-bis(trifluoromethyl)phenyl]-7-chlorofuro[2,3-c]pyridine (PubChem CID 86662406) has the molecular formula C15H6ClF6NO and a molecular weight of 365.66 g/mol. Its IUPAC name is 2-[3,5-bis(trifluoromethyl)phenyl]-7-chlorofuro[2,3-c]pyridine.

Molecular Properties

Compound Name2-[3,5-bis(trifluoromethyl)phenyl]-7-chlorofuro[2,3-c]pyridine
PubChem CID86662406
Molecular FormulaC15H6ClF6NO
Molecular Weight365.66 g/mol
Exact Mass365.00
IUPAC Name2-[3,5-bis(trifluoromethyl)phenyl]-7-chlorofuro[2,3-c]pyridine
SMILESFC(F)(F)c1cc(-c2cc3ccnc(Cl)c3o2)cc(C(F)(F)F)c1
InChIInChI=1S/C15H6ClF6NO/c16-13-12-7(1-2-23-13)5-11(24-12)8-3-9(14(17,18)19)6-10(4-8)15(20,21)22/h1-6H
InChIKeyKPATUQAGKWANCM-UHFFFAOYSA-N
XLogP6.19
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.66
LogP ≤ 56.19
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 2-[3,5-bis(trifluoromethyl)phenyl]-7-chlorofuro[2,3-c]pyridine?
The IUPAC name of 2-[3,5-bis(trifluoromethyl)phenyl]-7-chlorofuro[2,3-c]pyridine (CID 86662406) is 2-[3,5-bis(trifluoromethyl)phenyl]-7-chlorofuro[2,3-c]pyridine.
What is the SMILES notation for 2-[3,5-bis(trifluoromethyl)phenyl]-7-chlorofuro[2,3-c]pyridine?
The canonical SMILES for 2-[3,5-bis(trifluoromethyl)phenyl]-7-chlorofuro[2,3-c]pyridine is FC(F)(F)c1cc(-c2cc3ccnc(Cl)c3o2)cc(C(F)(F)F)c1.
What is the InChIKey of 2-[3,5-bis(trifluoromethyl)phenyl]-7-chlorofuro[2,3-c]pyridine?
The InChIKey is KPATUQAGKWANCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H6ClF6NO/c16-13-12-7(1-2-23-13)5-11(24-12)8-3-9(14(17,18)19)6-10(4-8)15(20,21)22/h1-6H.
What are the key properties of 2-[3,5-bis(trifluoromethyl)phenyl]-7-chlorofuro[2,3-c]pyridine?
2-[3,5-bis(trifluoromethyl)phenyl]-7-chlorofuro[2,3-c]pyridine has a molecular weight of 365.66 g/mol, XLogP of 6.19, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-bis(trifluoromethyl)phenyl]-7-chlorofuro[2,3-c]pyridine is sourced from PubChem (CID 86662406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).