6-chloro-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyridine-3-carboxamide

C15H8ClF3N4O2 — CID 155565971

IUPAC6-chloro-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyridine-3-carboxamide
SMILESO=C(Nc1nnc(-c2ccc(C(F)(F)F)cc2)o1)c1ccc(Cl)nc1
InChIInChI=1S/C15H8ClF3N4O2/c16-11-6-3-9(7-20-11)12(24)21-14-23-22-13(25-14)8-1-4-10(5-2-8)15(17,18)19/h1-7H,(H,21,23,24)
InChIKeyXJNOVBSZJKJMIL-UHFFFAOYSA-N
MW368.70 g/mol
LogP4.06
Rot. Bonds3

About 6-chloro-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyridine-3-carboxamide

6-chloro-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyridine-3-carboxamide (PubChem CID 155565971) has the molecular formula C15H8ClF3N4O2 and a molecular weight of 368.70 g/mol. Its IUPAC name is 6-chloro-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyridine-3-carboxamide
PubChem CID155565971
Molecular FormulaC15H8ClF3N4O2
Molecular Weight368.70 g/mol
Exact Mass368.03
IUPAC Name6-chloro-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyridine-3-carboxamide
SMILESO=C(Nc1nnc(-c2ccc(C(F)(F)F)cc2)o1)c1ccc(Cl)nc1
InChIInChI=1S/C15H8ClF3N4O2/c16-11-6-3-9(7-20-11)12(24)21-14-23-22-13(25-14)8-1-4-10(5-2-8)15(17,18)19/h1-7H,(H,21,23,24)
InChIKeyXJNOVBSZJKJMIL-UHFFFAOYSA-N
XLogP4.06
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.70
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 6-chloro-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyridine-3-carboxamide?
The IUPAC name of 6-chloro-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyridine-3-carboxamide (CID 155565971) is 6-chloro-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyridine-3-carboxamide is O=C(Nc1nnc(-c2ccc(C(F)(F)F)cc2)o1)c1ccc(Cl)nc1.
What is the InChIKey of 6-chloro-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyridine-3-carboxamide?
The InChIKey is XJNOVBSZJKJMIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8ClF3N4O2/c16-11-6-3-9(7-20-11)12(24)21-14-23-22-13(25-14)8-1-4-10(5-2-8)15(17,18)19/h1-7H,(H,21,23,24).
What are the key properties of 6-chloro-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyridine-3-carboxamide?
6-chloro-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyridine-3-carboxamide has a molecular weight of 368.70 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyridine-3-carboxamide is sourced from PubChem (CID 155565971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).