4-[1-[4-(trifluoromethyl)pyrimidin-2-yl]azetidin-3-yl]oxypyridine-2-carbonitrile

C14H10F3N5O — CID 165434613

IUPAC4-[1-[4-(trifluoromethyl)pyrimidin-2-yl]azetidin-3-yl]oxypyridine-2-carbonitrile
SMILESN#Cc1cc(OC2CN(c3nccc(C(F)(F)F)n3)C2)ccn1
InChIInChI=1S/C14H10F3N5O/c15-14(16,17)12-2-4-20-13(21-12)22-7-11(8-22)23-10-1-3-19-9(5-10)6-18/h1-5,11H,7-8H2
InChIKeyHATSLKHWTJVJKA-UHFFFAOYSA-N
MW321.26 g/mol
LogP2.03
Rot. Bonds3

About 4-[1-[4-(trifluoromethyl)pyrimidin-2-yl]azetidin-3-yl]oxypyridine-2-carbonitrile

4-[1-[4-(trifluoromethyl)pyrimidin-2-yl]azetidin-3-yl]oxypyridine-2-carbonitrile (PubChem CID 165434613) has the molecular formula C14H10F3N5O and a molecular weight of 321.26 g/mol. Its IUPAC name is 4-[1-[4-(trifluoromethyl)pyrimidin-2-yl]azetidin-3-yl]oxypyridine-2-carbonitrile.

Molecular Properties

Compound Name4-[1-[4-(trifluoromethyl)pyrimidin-2-yl]azetidin-3-yl]oxypyridine-2-carbonitrile
PubChem CID165434613
Molecular FormulaC14H10F3N5O
Molecular Weight321.26 g/mol
Exact Mass321.08
IUPAC Name4-[1-[4-(trifluoromethyl)pyrimidin-2-yl]azetidin-3-yl]oxypyridine-2-carbonitrile
SMILESN#Cc1cc(OC2CN(c3nccc(C(F)(F)F)n3)C2)ccn1
InChIInChI=1S/C14H10F3N5O/c15-14(16,17)12-2-4-20-13(21-12)22-7-11(8-22)23-10-1-3-19-9(5-10)6-18/h1-5,11H,7-8H2
InChIKeyHATSLKHWTJVJKA-UHFFFAOYSA-N
XLogP2.03
TPSA74.93 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.26
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[4-(trifluoromethyl)pyrimidin-2-yl]azetidin-3-yl]oxypyridine-2-carbonitrile?
The IUPAC name of 4-[1-[4-(trifluoromethyl)pyrimidin-2-yl]azetidin-3-yl]oxypyridine-2-carbonitrile (CID 165434613) is 4-[1-[4-(trifluoromethyl)pyrimidin-2-yl]azetidin-3-yl]oxypyridine-2-carbonitrile.
What is the SMILES notation for 4-[1-[4-(trifluoromethyl)pyrimidin-2-yl]azetidin-3-yl]oxypyridine-2-carbonitrile?
The canonical SMILES for 4-[1-[4-(trifluoromethyl)pyrimidin-2-yl]azetidin-3-yl]oxypyridine-2-carbonitrile is N#Cc1cc(OC2CN(c3nccc(C(F)(F)F)n3)C2)ccn1.
What is the InChIKey of 4-[1-[4-(trifluoromethyl)pyrimidin-2-yl]azetidin-3-yl]oxypyridine-2-carbonitrile?
The InChIKey is HATSLKHWTJVJKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3N5O/c15-14(16,17)12-2-4-20-13(21-12)22-7-11(8-22)23-10-1-3-19-9(5-10)6-18/h1-5,11H,7-8H2.
What are the key properties of 4-[1-[4-(trifluoromethyl)pyrimidin-2-yl]azetidin-3-yl]oxypyridine-2-carbonitrile?
4-[1-[4-(trifluoromethyl)pyrimidin-2-yl]azetidin-3-yl]oxypyridine-2-carbonitrile has a molecular weight of 321.26 g/mol, XLogP of 2.03, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[4-(trifluoromethyl)pyrimidin-2-yl]azetidin-3-yl]oxypyridine-2-carbonitrile is sourced from PubChem (CID 165434613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).