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

C9H9ClF3N3O — CID 114562576

IUPAC1-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-ol
SMILESOC1CCN(c2cc(C(F)(F)F)nc(Cl)n2)C1
InChIInChI=1S/C9H9ClF3N3O/c10-8-14-6(9(11,12)13)3-7(15-8)16-2-1-5(17)4-16/h3,5,17H,1-2,4H2
InChIKeyMJIJLXXZKYIHBD-UHFFFAOYSA-N
MW267.64 g/mol
LogP1.72
Rot. Bonds1

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

1-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-ol (PubChem CID 114562576) has the molecular formula C9H9ClF3N3O and a molecular weight of 267.64 g/mol. Its IUPAC name is 1-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-ol
PubChem CID114562576
Molecular FormulaC9H9ClF3N3O
Molecular Weight267.64 g/mol
Exact Mass267.04
IUPAC Name1-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-ol
SMILESOC1CCN(c2cc(C(F)(F)F)nc(Cl)n2)C1
InChIInChI=1S/C9H9ClF3N3O/c10-8-14-6(9(11,12)13)3-7(15-8)16-2-1-5(17)4-16/h3,5,17H,1-2,4H2
InChIKeyMJIJLXXZKYIHBD-UHFFFAOYSA-N
XLogP1.72
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.64
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3S)-3-methoxypyrrolidin-1-yl]-6-(trifluoromethyl)pyrimidine
CID 164629913
3-Hydroxy-1-[6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-2-one
CID 53923628
N,N-dimethyl-2-propan-2-yloxy-6-(trifluoromethyl)pyrimidin-4-amine
CID 59637135
1-[4-(Trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-ol
CID 64586057
(3S)-1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-ol
CID 124681432
2-[[2-Methylsulfanyl-6-(trifluoromethyl)pyrimidin-4-yl]-propylamino]ethanol
CID 134202137
(3R)-4-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-3-methylmorpholine
CID 137550446
1-[2-[(2S)-2-methylazetidin-1-yl]-6-(trifluoromethyl)pyrimidin-4-yl]azetidin-3-ol
CID 168954029
1-[2-Chloro-6-(trifluoromethyl)pyrimidin-4-yl]azetidin-3-ol
CID 168954071
1-[2-(2-Methylazetidin-1-yl)-6-(trifluoromethyl)pyrimidin-4-yl]azetidin-3-ol
CID 169737779
1-[2-(3-Methylbutylamino)-6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-ol
CID 169972676
1-[2-[(2S)-2-methylazetidin-1-yl]-6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-ol
CID 172210445

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-ol?
The IUPAC name of 1-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-ol (CID 114562576) is 1-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-ol?
The canonical SMILES for 1-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-ol is OC1CCN(c2cc(C(F)(F)F)nc(Cl)n2)C1.
What is the InChIKey of 1-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-ol?
The InChIKey is MJIJLXXZKYIHBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClF3N3O/c10-8-14-6(9(11,12)13)3-7(15-8)16-2-1-5(17)4-16/h3,5,17H,1-2,4H2.
What are the key properties of 1-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-ol?
1-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-ol has a molecular weight of 267.64 g/mol, XLogP of 1.72, 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]pyrrolidin-3-ol is sourced from PubChem (CID 114562576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).