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

C9H9ClF3N3O — CID 124681432

IUPAC(3S)-1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-ol
SMILESO[C@H]1CCN(c2cc(Cl)nc(C(F)(F)F)n2)C1
InChIInChI=1S/C9H9ClF3N3O/c10-6-3-7(16-2-1-5(17)4-16)15-8(14-6)9(11,12)13/h3,5,17H,1-2,4H2/t5-/m0/s1
InChIKeyUHXNNHPOHAHYDG-YFKPBYRVSA-N
MW267.64 g/mol
LogP1.72
Rot. Bonds1

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

(3S)-1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-ol (PubChem CID 124681432) has the molecular formula C9H9ClF3N3O and a molecular weight of 267.64 g/mol. Its IUPAC name is (3S)-1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3S)-1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-ol
PubChem CID124681432
Molecular FormulaC9H9ClF3N3O
Molecular Weight267.64 g/mol
Exact Mass267.04
IUPAC Name(3S)-1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-ol
SMILESO[C@H]1CCN(c2cc(Cl)nc(C(F)(F)F)n2)C1
InChIInChI=1S/C9H9ClF3N3O/c10-6-3-7(16-2-1-5(17)4-16)15-8(14-6)9(11,12)13/h3,5,17H,1-2,4H2/t5-/m0/s1
InChIKeyUHXNNHPOHAHYDG-YFKPBYRVSA-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

(3R)-1-(4-chloropyrimidin-2-yl)pyrrolidin-3-ol
CID 71649291
4-(6-Chloro-2-trifluoromethylpyrimidin-4-yl)morpholine
CID 46738256
1-[2-Chloro-6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-ol
CID 114562576
(3S,5R)-1-[6-chloro-2-[(2,2-difluorocyclopropyl)methyl]pyrimidin-4-yl]-5-ethylpyrrolidin-3-ol
CID 117688674
(3S,5R)-1-[6-chloro-2-(2,2-difluoro-3-methylcyclopropyl)pyrimidin-4-yl]-5-ethylpyrrolidin-3-ol
CID 117688706
(3R,4R)-4-fluoro-1-(6-iodo-2-methylpyrimidin-4-yl)pyrrolidin-3-ol
CID 140318365
(3R,4R)-4-fluoro-1-(6-iodo-2-methoxypyrimidin-4-yl)pyrrolidin-3-ol
CID 140318422
4-Fluoro-1-(6-iodo-2-methylpyrimidin-4-yl)pyrrolidin-3-ol
CID 142743310
4-Fluoro-1-(6-iodo-2-methoxypyrimidin-4-yl)pyrrolidin-3-ol
CID 142743321
4-Chloro-6-pyrrolidin-1-yl-2-(trifluoromethyl)pyrimidine;formic acid
CID 145433371
(3S,4S)-4-fluoro-1-(6-iodo-2-methylpyrimidin-4-yl)pyrrolidin-3-ol
CID 146441104
(3S,4S)-4-fluoro-1-(6-iodo-2-methoxypyrimidin-4-yl)pyrrolidin-3-ol
CID 146441157

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-ol?
The IUPAC name of (3S)-1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-ol (CID 124681432) is (3S)-1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-ol.
What is the SMILES notation for (3S)-1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-ol?
The canonical SMILES for (3S)-1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-ol is O[C@H]1CCN(c2cc(Cl)nc(C(F)(F)F)n2)C1.
What is the InChIKey of (3S)-1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-ol?
The InChIKey is UHXNNHPOHAHYDG-YFKPBYRVSA-N. The full InChI is InChI=1S/C9H9ClF3N3O/c10-6-3-7(16-2-1-5(17)4-16)15-8(14-6)9(11,12)13/h3,5,17H,1-2,4H2/t5-/m0/s1.
What are the key properties of (3S)-1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-ol?
(3S)-1-[6-chloro-2-(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 (3S)-1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-ol is sourced from PubChem (CID 124681432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).