5-chloro-N-(4,4,4-trifluoro-3-hydroxy-2-methylbutan-2-yl)pyridine-3-carboxamide

C11H12ClF3N2O2 — CID 138012446

IUPAC5-chloro-N-(4,4,4-trifluoro-3-hydroxy-2-methylbutan-2-yl)pyridine-3-carboxamide
SMILESCC(C)(NC(=O)c1cncc(Cl)c1)C(O)C(F)(F)F
InChIInChI=1S/C11H12ClF3N2O2/c1-10(2,9(19)11(13,14)15)17-8(18)6-3-7(12)5-16-4-6/h3-5,9,19H,1-2H3,(H,17,18)
InChIKeyJOFDLLZSJGZHFB-UHFFFAOYSA-N
MW296.68 g/mol
LogP2.17
Rot. Bonds3

About 5-chloro-N-(4,4,4-trifluoro-3-hydroxy-2-methylbutan-2-yl)pyridine-3-carboxamide

5-chloro-N-(4,4,4-trifluoro-3-hydroxy-2-methylbutan-2-yl)pyridine-3-carboxamide (PubChem CID 138012446) has the molecular formula C11H12ClF3N2O2 and a molecular weight of 296.68 g/mol. Its IUPAC name is 5-chloro-N-(4,4,4-trifluoro-3-hydroxy-2-methylbutan-2-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(4,4,4-trifluoro-3-hydroxy-2-methylbutan-2-yl)pyridine-3-carboxamide
PubChem CID138012446
Molecular FormulaC11H12ClF3N2O2
Molecular Weight296.68 g/mol
Exact Mass296.05
IUPAC Name5-chloro-N-(4,4,4-trifluoro-3-hydroxy-2-methylbutan-2-yl)pyridine-3-carboxamide
SMILESCC(C)(NC(=O)c1cncc(Cl)c1)C(O)C(F)(F)F
InChIInChI=1S/C11H12ClF3N2O2/c1-10(2,9(19)11(13,14)15)17-8(18)6-3-7(12)5-16-4-6/h3-5,9,19H,1-2H3,(H,17,18)
InChIKeyJOFDLLZSJGZHFB-UHFFFAOYSA-N
XLogP2.17
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.68
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-hydroxypyridine-3-carboxamide
CID 130672064
1-(5-chloro-3-pyridinyl)-2-methylpropan-1-one
CID 131025177
N-(3-tert-butyl-4-methylphenyl)-5-chloropyridine-3-carboxamide
CID 170149232
N-tert-butyl-5-(4-chloroanilino)pyridine-3-carboxamide
CID 109239296
5-chloro-N-[(1S)-1-(5-chloro-2-pyridinyl)ethyl]pyridine-3-carboxamide
CID 155965739
N-[(2S)-1-(4-tert-butyltriazol-1-yl)propan-2-yl]-5-chloropyridine-3-carboxamide
CID 146153347
2-cyclopropyl-2-[(5-fluoropyridine-3-carbonyl)amino]propanoic acid
CID 113452810
(5-chloro-3-pyridinyl)-pyrimidin-5-ylmethanone
CID 131142428
3,5-dichloro-N-(2,2,2-trifluoro-1-hydroxyethyl)benzamide
CID 15906509
1-(5-chloro-3-pyridinyl)-3-methylbut-2-en-1-one
CID 130640099
3-chloro-5-(1,1-difluoroethyl)pyridine
CID 118107873
3,5-dichloropyridine;trifluoromethanesulfonic acid
CID 171924151

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(4,4,4-trifluoro-3-hydroxy-2-methylbutan-2-yl)pyridine-3-carboxamide?
The IUPAC name of 5-chloro-N-(4,4,4-trifluoro-3-hydroxy-2-methylbutan-2-yl)pyridine-3-carboxamide (CID 138012446) is 5-chloro-N-(4,4,4-trifluoro-3-hydroxy-2-methylbutan-2-yl)pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-N-(4,4,4-trifluoro-3-hydroxy-2-methylbutan-2-yl)pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-N-(4,4,4-trifluoro-3-hydroxy-2-methylbutan-2-yl)pyridine-3-carboxamide is CC(C)(NC(=O)c1cncc(Cl)c1)C(O)C(F)(F)F.
What is the InChIKey of 5-chloro-N-(4,4,4-trifluoro-3-hydroxy-2-methylbutan-2-yl)pyridine-3-carboxamide?
The InChIKey is JOFDLLZSJGZHFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClF3N2O2/c1-10(2,9(19)11(13,14)15)17-8(18)6-3-7(12)5-16-4-6/h3-5,9,19H,1-2H3,(H,17,18).
What are the key properties of 5-chloro-N-(4,4,4-trifluoro-3-hydroxy-2-methylbutan-2-yl)pyridine-3-carboxamide?
5-chloro-N-(4,4,4-trifluoro-3-hydroxy-2-methylbutan-2-yl)pyridine-3-carboxamide has a molecular weight of 296.68 g/mol, XLogP of 2.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(4,4,4-trifluoro-3-hydroxy-2-methylbutan-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 138012446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).