4-chloro-3-[2-[4-(trifluoromethoxy)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenol

C19H12ClF3N4O2 — CID 46892142

IUPAC4-chloro-3-[2-[4-(trifluoromethoxy)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenol
SMILESOc1ccc(Cl)c(-c2ccc3nc(Nc4ccc(OC(F)(F)F)cc4)nn3c2)c1
InChIInChI=1S/C19H12ClF3N4O2/c20-16-7-4-13(28)9-15(16)11-1-8-17-25-18(26-27(17)10-11)24-12-2-5-14(6-3-12)29-19(21,22)23/h1-10,28H,(H,24,26)
InChIKeyFVMLVNPROHOXBY-UHFFFAOYSA-N
MW420.78 g/mol
LogP5.40
Rot. Bonds4

About 4-chloro-3-[2-[4-(trifluoromethoxy)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenol

4-chloro-3-[2-[4-(trifluoromethoxy)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenol (PubChem CID 46892142) has the molecular formula C19H12ClF3N4O2 and a molecular weight of 420.78 g/mol. Its IUPAC name is 4-chloro-3-[2-[4-(trifluoromethoxy)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenol.

Molecular Properties

Compound Name4-chloro-3-[2-[4-(trifluoromethoxy)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenol
PubChem CID46892142
Molecular FormulaC19H12ClF3N4O2
Molecular Weight420.78 g/mol
Exact Mass420.06
IUPAC Name4-chloro-3-[2-[4-(trifluoromethoxy)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenol
SMILESOc1ccc(Cl)c(-c2ccc3nc(Nc4ccc(OC(F)(F)F)cc4)nn3c2)c1
InChIInChI=1S/C19H12ClF3N4O2/c20-16-7-4-13(28)9-15(16)11-1-8-17-25-18(26-27(17)10-11)24-12-2-5-14(6-3-12)29-19(21,22)23/h1-10,28H,(H,24,26)
InChIKeyFVMLVNPROHOXBY-UHFFFAOYSA-N
XLogP5.40
TPSA71.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.78
LogP ≤ 55.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[2-[4-(trifluoromethoxy)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenol?
The IUPAC name of 4-chloro-3-[2-[4-(trifluoromethoxy)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenol (CID 46892142) is 4-chloro-3-[2-[4-(trifluoromethoxy)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenol.
What is the SMILES notation for 4-chloro-3-[2-[4-(trifluoromethoxy)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenol?
The canonical SMILES for 4-chloro-3-[2-[4-(trifluoromethoxy)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenol is Oc1ccc(Cl)c(-c2ccc3nc(Nc4ccc(OC(F)(F)F)cc4)nn3c2)c1.
What is the InChIKey of 4-chloro-3-[2-[4-(trifluoromethoxy)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenol?
The InChIKey is FVMLVNPROHOXBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClF3N4O2/c20-16-7-4-13(28)9-15(16)11-1-8-17-25-18(26-27(17)10-11)24-12-2-5-14(6-3-12)29-19(21,22)23/h1-10,28H,(H,24,26).
What are the key properties of 4-chloro-3-[2-[4-(trifluoromethoxy)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenol?
4-chloro-3-[2-[4-(trifluoromethoxy)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenol has a molecular weight of 420.78 g/mol, XLogP of 5.40, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[2-[4-(trifluoromethoxy)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenol is sourced from PubChem (CID 46892142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).