5-chloro-2-[2-(trifluoromethyl)quinazolin-5-yl]oxypyridine-3-carbonitrile

C15H6ClF3N4O — CID 176774100

IUPAC5-chloro-2-[2-(trifluoromethyl)quinazolin-5-yl]oxypyridine-3-carbonitrile
SMILESN#Cc1cc(Cl)cnc1Oc1cccc2nc(C(F)(F)F)ncc12
InChIInChI=1S/C15H6ClF3N4O/c16-9-4-8(5-20)13(21-6-9)24-12-3-1-2-11-10(12)7-22-14(23-11)15(17,18)19/h1-4,6-7H
InChIKeyULGGCZSOGXJWRI-UHFFFAOYSA-N
MW350.69 g/mol
LogP4.36
Rot. Bonds2

About 5-chloro-2-[2-(trifluoromethyl)quinazolin-5-yl]oxypyridine-3-carbonitrile

5-chloro-2-[2-(trifluoromethyl)quinazolin-5-yl]oxypyridine-3-carbonitrile (PubChem CID 176774100) has the molecular formula C15H6ClF3N4O and a molecular weight of 350.69 g/mol. Its IUPAC name is 5-chloro-2-[2-(trifluoromethyl)quinazolin-5-yl]oxypyridine-3-carbonitrile.

Molecular Properties

Compound Name5-chloro-2-[2-(trifluoromethyl)quinazolin-5-yl]oxypyridine-3-carbonitrile
PubChem CID176774100
Molecular FormulaC15H6ClF3N4O
Molecular Weight350.69 g/mol
Exact Mass350.02
IUPAC Name5-chloro-2-[2-(trifluoromethyl)quinazolin-5-yl]oxypyridine-3-carbonitrile
SMILESN#Cc1cc(Cl)cnc1Oc1cccc2nc(C(F)(F)F)ncc12
InChIInChI=1S/C15H6ClF3N4O/c16-9-4-8(5-20)13(21-6-9)24-12-3-1-2-11-10(12)7-22-14(23-11)15(17,18)19/h1-4,6-7H
InChIKeyULGGCZSOGXJWRI-UHFFFAOYSA-N
XLogP4.36
TPSA71.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.69
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[2-(trifluoromethyl)quinazolin-5-yl]oxypyridine-3-carbonitrile?
The IUPAC name of 5-chloro-2-[2-(trifluoromethyl)quinazolin-5-yl]oxypyridine-3-carbonitrile (CID 176774100) is 5-chloro-2-[2-(trifluoromethyl)quinazolin-5-yl]oxypyridine-3-carbonitrile.
What is the SMILES notation for 5-chloro-2-[2-(trifluoromethyl)quinazolin-5-yl]oxypyridine-3-carbonitrile?
The canonical SMILES for 5-chloro-2-[2-(trifluoromethyl)quinazolin-5-yl]oxypyridine-3-carbonitrile is N#Cc1cc(Cl)cnc1Oc1cccc2nc(C(F)(F)F)ncc12.
What is the InChIKey of 5-chloro-2-[2-(trifluoromethyl)quinazolin-5-yl]oxypyridine-3-carbonitrile?
The InChIKey is ULGGCZSOGXJWRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H6ClF3N4O/c16-9-4-8(5-20)13(21-6-9)24-12-3-1-2-11-10(12)7-22-14(23-11)15(17,18)19/h1-4,6-7H.
What are the key properties of 5-chloro-2-[2-(trifluoromethyl)quinazolin-5-yl]oxypyridine-3-carbonitrile?
5-chloro-2-[2-(trifluoromethyl)quinazolin-5-yl]oxypyridine-3-carbonitrile has a molecular weight of 350.69 g/mol, XLogP of 4.36, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[2-(trifluoromethyl)quinazolin-5-yl]oxypyridine-3-carbonitrile is sourced from PubChem (CID 176774100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).