1-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]azetidin-3-ol

C8H7ClF3N3O — CID 168954071

IUPAC1-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]azetidin-3-ol
SMILESOC1CN(c2cc(C(F)(F)F)nc(Cl)n2)C1
InChIInChI=1S/C8H7ClF3N3O/c9-7-13-5(8(10,11)12)1-6(14-7)15-2-4(16)3-15/h1,4,16H,2-3H2
InChIKeyBVRMXJAPRLWZNP-UHFFFAOYSA-N
MW253.61 g/mol
LogP1.33
Rot. Bonds1

About 1-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]azetidin-3-ol

1-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]azetidin-3-ol (PubChem CID 168954071) has the molecular formula C8H7ClF3N3O and a molecular weight of 253.61 g/mol. Its IUPAC name is 1-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]azetidin-3-ol.

Molecular Properties

Compound Name1-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]azetidin-3-ol
PubChem CID168954071
Molecular FormulaC8H7ClF3N3O
Molecular Weight253.61 g/mol
Exact Mass253.02
IUPAC Name1-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]azetidin-3-ol
SMILESOC1CN(c2cc(C(F)(F)F)nc(Cl)n2)C1
InChIInChI=1S/C8H7ClF3N3O/c9-7-13-5(8(10,11)12)1-6(14-7)15-2-4(16)3-15/h1,4,16H,2-3H2
InChIKeyBVRMXJAPRLWZNP-UHFFFAOYSA-N
XLogP1.33
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.61
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]azetidin-3-ol?
The IUPAC name of 1-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]azetidin-3-ol (CID 168954071) is 1-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]azetidin-3-ol.
What is the SMILES notation for 1-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]azetidin-3-ol?
The canonical SMILES for 1-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]azetidin-3-ol is OC1CN(c2cc(C(F)(F)F)nc(Cl)n2)C1.
What is the InChIKey of 1-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]azetidin-3-ol?
The InChIKey is BVRMXJAPRLWZNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClF3N3O/c9-7-13-5(8(10,11)12)1-6(14-7)15-2-4(16)3-15/h1,4,16H,2-3H2.
What are the key properties of 1-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]azetidin-3-ol?
1-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]azetidin-3-ol has a molecular weight of 253.61 g/mol, XLogP of 1.33, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]azetidin-3-ol is sourced from PubChem (CID 168954071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).