5-[(2R,4R)-4-hydroxy-2-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyridine-2-carbonitrile

C17H14F3N3O — CID 129381162

IUPAC5-[(2R,4R)-4-hydroxy-2-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyridine-2-carbonitrile
SMILESN#Cc1ccc(N2C[C@H](O)C[C@@H]2c2cccc(C(F)(F)F)c2)cn1
InChIInChI=1S/C17H14F3N3O/c18-17(19,20)12-3-1-2-11(6-12)16-7-15(24)10-23(16)14-5-4-13(8-21)22-9-14/h1-6,9,15-16,24H,7,10H2/t15-,16-/m1/s1
InChIKeyRZPHJEFSZQEAHG-HZPDHXFCSA-N
MW333.31 g/mol
LogP3.28
Rot. Bonds2

About 5-[(2R,4R)-4-hydroxy-2-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyridine-2-carbonitrile

5-[(2R,4R)-4-hydroxy-2-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyridine-2-carbonitrile (PubChem CID 129381162) has the molecular formula C17H14F3N3O and a molecular weight of 333.31 g/mol. Its IUPAC name is 5-[(2R,4R)-4-hydroxy-2-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[(2R,4R)-4-hydroxy-2-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyridine-2-carbonitrile
PubChem CID129381162
Molecular FormulaC17H14F3N3O
Molecular Weight333.31 g/mol
Exact Mass333.11
IUPAC Name5-[(2R,4R)-4-hydroxy-2-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyridine-2-carbonitrile
SMILESN#Cc1ccc(N2C[C@H](O)C[C@@H]2c2cccc(C(F)(F)F)c2)cn1
InChIInChI=1S/C17H14F3N3O/c18-17(19,20)12-3-1-2-11(6-12)16-7-15(24)10-23(16)14-5-4-13(8-21)22-9-14/h1-6,9,15-16,24H,7,10H2/t15-,16-/m1/s1
InChIKeyRZPHJEFSZQEAHG-HZPDHXFCSA-N
XLogP3.28
TPSA60.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.31
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(2S,4R)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]pyridine-2-carbonitrile
CID 129482001
6-[(2R,4S)-4-hydroxy-2-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyridine-3-carbonitrile
CID 99621967
4-[(2R,4S)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]benzonitrile
CID 129349528
(3S,5R)-1-(7H-purin-6-yl)-5-[3-(trifluoromethyl)phenyl]pyrrolidin-3-ol
CID 129381170
1-(6,8-difluoroquinolin-4-yl)-5-[3-(trifluoromethyl)phenyl]pyrrolidin-3-ol
CID 133495111
1-methylsulfonyl-5-[3-(trifluoromethyl)phenyl]pyrrolidin-3-ol
CID 128963640
5-[(4S)-2-oxo-3-[2-oxo-3-[3-(trifluoromethyl)phenyl]propyl]-4-propan-2-ylimidazolidin-1-yl]pyridine-2-carbonitrile
CID 157083720
(3R,5R)-1-(pyridin-2-ylmethyl)-5-[3-(trifluoromethyl)phenyl]pyrrolidin-3-ol
CID 125135716
(3S,5S)-1-(pyrimidin-5-ylmethyl)-5-[3-(trifluoromethyl)phenyl]pyrrolidin-3-ol
CID 129398116
2-[(5S)-3-(6-cyano-3-pyridinyl)-2-oxo-5-propan-2-ylimidazolidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 86705190
2-[(2R,4R)-4-hydroxy-2-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]-3H-quinazolin-4-one
CID 136800344
(3R,5R)-1-[(2-methylpyrazol-3-yl)methyl]-5-[3-(trifluoromethyl)phenyl]pyrrolidin-3-ol
CID 129372706

Frequently Asked Questions

What is the IUPAC name of 5-[(2R,4R)-4-hydroxy-2-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyridine-2-carbonitrile?
The IUPAC name of 5-[(2R,4R)-4-hydroxy-2-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyridine-2-carbonitrile (CID 129381162) is 5-[(2R,4R)-4-hydroxy-2-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyridine-2-carbonitrile.
What is the SMILES notation for 5-[(2R,4R)-4-hydroxy-2-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyridine-2-carbonitrile?
The canonical SMILES for 5-[(2R,4R)-4-hydroxy-2-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyridine-2-carbonitrile is N#Cc1ccc(N2C[C@H](O)C[C@@H]2c2cccc(C(F)(F)F)c2)cn1.
What is the InChIKey of 5-[(2R,4R)-4-hydroxy-2-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyridine-2-carbonitrile?
The InChIKey is RZPHJEFSZQEAHG-HZPDHXFCSA-N. The full InChI is InChI=1S/C17H14F3N3O/c18-17(19,20)12-3-1-2-11(6-12)16-7-15(24)10-23(16)14-5-4-13(8-21)22-9-14/h1-6,9,15-16,24H,7,10H2/t15-,16-/m1/s1.
What are the key properties of 5-[(2R,4R)-4-hydroxy-2-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyridine-2-carbonitrile?
5-[(2R,4R)-4-hydroxy-2-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyridine-2-carbonitrile has a molecular weight of 333.31 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R,4R)-4-hydroxy-2-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyridine-2-carbonitrile is sourced from PubChem (CID 129381162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).