5-chloro-N-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]pyridine-2-carboxamide

C15H12ClF3N2O2 — CID 111434796

IUPAC5-chloro-N-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]pyridine-2-carboxamide
SMILESO=C(NCC(O)c1cccc(C(F)(F)F)c1)c1ccc(Cl)cn1
InChIInChI=1S/C15H12ClF3N2O2/c16-11-4-5-12(20-7-11)14(23)21-8-13(22)9-2-1-3-10(6-9)15(17,18)19/h1-7,13,22H,8H2,(H,21,23)
InChIKeyCIJRFCDFCBJSEM-UHFFFAOYSA-N
MW344.72 g/mol
LogP3.22
Rot. Bonds4

About 5-chloro-N-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]pyridine-2-carboxamide

5-chloro-N-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]pyridine-2-carboxamide (PubChem CID 111434796) has the molecular formula C15H12ClF3N2O2 and a molecular weight of 344.72 g/mol. Its IUPAC name is 5-chloro-N-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]pyridine-2-carboxamide
PubChem CID111434796
Molecular FormulaC15H12ClF3N2O2
Molecular Weight344.72 g/mol
Exact Mass344.05
IUPAC Name5-chloro-N-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]pyridine-2-carboxamide
SMILESO=C(NCC(O)c1cccc(C(F)(F)F)c1)c1ccc(Cl)cn1
InChIInChI=1S/C15H12ClF3N2O2/c16-11-4-5-12(20-7-11)14(23)21-8-13(22)9-2-1-3-10(6-9)15(17,18)19/h1-7,13,22H,8H2,(H,21,23)
InChIKeyCIJRFCDFCBJSEM-UHFFFAOYSA-N
XLogP3.22
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.72
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-cyano-N-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]pyridine-2-carboxamide
CID 111108710
N-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-1,3-thiazole-4-carboxamide
CID 111108640
N-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 102602799
N-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-2-(6-methyl-3-pyridinyl)acetamide
CID 56783587
N-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-2,3-dimethylbenzamide
CID 111108691
3-hydroxy-N-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-4-methylbenzamide
CID 110014991
1-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-3-prop-2-ynylurea
CID 111108600
1-cyclopropyl-3-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]urea
CID 111108599
3-ethyl-N-[(2S)-2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 97059016
2-(4-chlorophenoxy)-1-[3-(trifluoromethyl)phenyl]ethanol
CID 115766334
1-(2-hydroxy-2-phenylethyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 2812620
N-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]bicyclo[3.1.0]hexane-6-carboxamide
CID 71979033

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]pyridine-2-carboxamide?
The IUPAC name of 5-chloro-N-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]pyridine-2-carboxamide (CID 111434796) is 5-chloro-N-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]pyridine-2-carboxamide?
The canonical SMILES for 5-chloro-N-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]pyridine-2-carboxamide is O=C(NCC(O)c1cccc(C(F)(F)F)c1)c1ccc(Cl)cn1.
What is the InChIKey of 5-chloro-N-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]pyridine-2-carboxamide?
The InChIKey is CIJRFCDFCBJSEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClF3N2O2/c16-11-4-5-12(20-7-11)14(23)21-8-13(22)9-2-1-3-10(6-9)15(17,18)19/h1-7,13,22H,8H2,(H,21,23).
What are the key properties of 5-chloro-N-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]pyridine-2-carboxamide?
5-chloro-N-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]pyridine-2-carboxamide has a molecular weight of 344.72 g/mol, XLogP of 3.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 111434796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).