[5-(4-chlorophenyl)-3-pyridinyl]-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]methanone

C17H14ClF3N2O2 — CID 126788593

IUPAC[5-(4-chlorophenyl)-3-pyridinyl]-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]methanone
SMILESO=C(c1cncc(-c2ccc(Cl)cc2)c1)N1CCC(O)(C(F)(F)F)C1
InChIInChI=1S/C17H14ClF3N2O2/c18-14-3-1-11(2-4-14)12-7-13(9-22-8-12)15(24)23-6-5-16(25,10-23)17(19,20)21/h1-4,7-9,25H,5-6,10H2
InChIKeyNOBZWBKLRNRLQL-UHFFFAOYSA-N
MW370.76 g/mol
LogP3.54
Rot. Bonds2

About [5-(4-chlorophenyl)-3-pyridinyl]-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]methanone

[5-(4-chlorophenyl)-3-pyridinyl]-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]methanone (PubChem CID 126788593) has the molecular formula C17H14ClF3N2O2 and a molecular weight of 370.76 g/mol. Its IUPAC name is [5-(4-chlorophenyl)-3-pyridinyl]-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[5-(4-chlorophenyl)-3-pyridinyl]-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]methanone
PubChem CID126788593
Molecular FormulaC17H14ClF3N2O2
Molecular Weight370.76 g/mol
Exact Mass370.07
IUPAC Name[5-(4-chlorophenyl)-3-pyridinyl]-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]methanone
SMILESO=C(c1cncc(-c2ccc(Cl)cc2)c1)N1CCC(O)(C(F)(F)F)C1
InChIInChI=1S/C17H14ClF3N2O2/c18-14-3-1-11(2-4-14)12-7-13(9-22-8-12)15(24)23-6-5-16(25,10-23)17(19,20)21/h1-4,7-9,25H,5-6,10H2
InChIKeyNOBZWBKLRNRLQL-UHFFFAOYSA-N
XLogP3.54
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.76
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-(4-chlorophenyl)-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 42845797
(4-amino-3,3-dimethylpiperidin-1-yl)-[5-(4-chlorophenyl)-3-pyridinyl]methanone
CID 120818883
(3S,4S)-1-[5-(4-chlorophenyl)pyridine-3-carbonyl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 120951694
3,5-dichloro-N-[4-[(3R)-3-hydroxy-3-(trifluoromethyl)pyrrolidine-1-carbonyl]phenyl]benzamide
CID 97215888
[5-(4-chlorophenyl)-3-pyridinyl]-[(2R)-2-methylmorpholin-4-yl]methanone
CID 136582281
4-[5-(4-chlorophenyl)pyridine-3-carbonyl]-N-ethylpiperazine-1-carboxamide
CID 136514396
[3-hydroxy-3-(trifluoromethyl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 71981899
4-[5-(4-chlorophenyl)pyridine-3-carbonyl]-6-methylpiperazin-2-one
CID 146147832
[4-(3-aminopropoxy)piperidin-1-yl]-[5-(4-chlorophenyl)-3-pyridinyl]methanone
CID 119663953
(4-methoxy-4-methylpiperidin-1-yl)-[5-(4-methoxyphenyl)-3-pyridinyl]methanone
CID 146125670
1-[5-(4-chlorophenyl)pyridine-3-carbonyl]pyrrolidine-2-carboxamide
CID 126785640
2-methyl-8-[5-(4-methylphenyl)pyridine-3-carbonyl]-2,8-diazaspiro[4.5]decan-1-one
CID 139012982

Frequently Asked Questions

What is the IUPAC name of [5-(4-chlorophenyl)-3-pyridinyl]-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of [5-(4-chlorophenyl)-3-pyridinyl]-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]methanone (CID 126788593) is [5-(4-chlorophenyl)-3-pyridinyl]-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [5-(4-chlorophenyl)-3-pyridinyl]-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [5-(4-chlorophenyl)-3-pyridinyl]-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]methanone is O=C(c1cncc(-c2ccc(Cl)cc2)c1)N1CCC(O)(C(F)(F)F)C1.
What is the InChIKey of [5-(4-chlorophenyl)-3-pyridinyl]-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]methanone?
The InChIKey is NOBZWBKLRNRLQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClF3N2O2/c18-14-3-1-11(2-4-14)12-7-13(9-22-8-12)15(24)23-6-5-16(25,10-23)17(19,20)21/h1-4,7-9,25H,5-6,10H2.
What are the key properties of [5-(4-chlorophenyl)-3-pyridinyl]-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]methanone?
[5-(4-chlorophenyl)-3-pyridinyl]-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]methanone has a molecular weight of 370.76 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-chlorophenyl)-3-pyridinyl]-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 126788593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).