7-methoxy-3-[4-(trifluoromethyl)phenyl]triazolo[1,5-a]pyridine

C14H10F3N3O — CID 16743780

IUPAC7-methoxy-3-[4-(trifluoromethyl)phenyl]triazolo[1,5-a]pyridine
SMILESCOc1cccc2c(-c3ccc(C(F)(F)F)cc3)nnn12
InChIInChI=1S/C14H10F3N3O/c1-21-12-4-2-3-11-13(18-19-20(11)12)9-5-7-10(8-6-9)14(15,16)17/h2-8H,1H3
InChIKeySZAUOECVTMRTLV-UHFFFAOYSA-N
MW293.25 g/mol
LogP3.42
Rot. Bonds2

About 7-methoxy-3-[4-(trifluoromethyl)phenyl]triazolo[1,5-a]pyridine

7-methoxy-3-[4-(trifluoromethyl)phenyl]triazolo[1,5-a]pyridine (PubChem CID 16743780) has the molecular formula C14H10F3N3O and a molecular weight of 293.25 g/mol. Its IUPAC name is 7-methoxy-3-[4-(trifluoromethyl)phenyl]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name7-methoxy-3-[4-(trifluoromethyl)phenyl]triazolo[1,5-a]pyridine
PubChem CID16743780
Molecular FormulaC14H10F3N3O
Molecular Weight293.25 g/mol
Exact Mass293.08
IUPAC Name7-methoxy-3-[4-(trifluoromethyl)phenyl]triazolo[1,5-a]pyridine
SMILESCOc1cccc2c(-c3ccc(C(F)(F)F)cc3)nnn12
InChIInChI=1S/C14H10F3N3O/c1-21-12-4-2-3-11-13(18-19-20(11)12)9-5-7-10(8-6-9)14(15,16)17/h2-8H,1H3
InChIKeySZAUOECVTMRTLV-UHFFFAOYSA-N
XLogP3.42
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.25
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-3-[4-(trifluoromethyl)phenyl]triazolo[1,5-a]pyridine?
The IUPAC name of 7-methoxy-3-[4-(trifluoromethyl)phenyl]triazolo[1,5-a]pyridine (CID 16743780) is 7-methoxy-3-[4-(trifluoromethyl)phenyl]triazolo[1,5-a]pyridine.
What is the SMILES notation for 7-methoxy-3-[4-(trifluoromethyl)phenyl]triazolo[1,5-a]pyridine?
The canonical SMILES for 7-methoxy-3-[4-(trifluoromethyl)phenyl]triazolo[1,5-a]pyridine is COc1cccc2c(-c3ccc(C(F)(F)F)cc3)nnn12.
What is the InChIKey of 7-methoxy-3-[4-(trifluoromethyl)phenyl]triazolo[1,5-a]pyridine?
The InChIKey is SZAUOECVTMRTLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3N3O/c1-21-12-4-2-3-11-13(18-19-20(11)12)9-5-7-10(8-6-9)14(15,16)17/h2-8H,1H3.
What are the key properties of 7-methoxy-3-[4-(trifluoromethyl)phenyl]triazolo[1,5-a]pyridine?
7-methoxy-3-[4-(trifluoromethyl)phenyl]triazolo[1,5-a]pyridine has a molecular weight of 293.25 g/mol, XLogP of 3.42, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-3-[4-(trifluoromethyl)phenyl]triazolo[1,5-a]pyridine is sourced from PubChem (CID 16743780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).