2,5-dichloro-N-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]pyridine-4-carboxamide

C11H9Cl2F3N2O2 — CID 126830073

IUPAC2,5-dichloro-N-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]pyridine-4-carboxamide
SMILESO=C(NC1CC(O)(C(F)(F)F)C1)c1cc(Cl)ncc1Cl
InChIInChI=1S/C11H9Cl2F3N2O2/c12-7-4-17-8(13)1-6(7)9(19)18-5-2-10(20,3-5)11(14,15)16/h1,4-5,20H,2-3H2,(H,18,19)
InChIKeyNLUCBMWGLCDZLP-UHFFFAOYSA-N
MW329.11 g/mol
LogP2.57
Rot. Bonds2

About 2,5-dichloro-N-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]pyridine-4-carboxamide

2,5-dichloro-N-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]pyridine-4-carboxamide (PubChem CID 126830073) has the molecular formula C11H9Cl2F3N2O2 and a molecular weight of 329.11 g/mol. Its IUPAC name is 2,5-dichloro-N-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2,5-dichloro-N-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]pyridine-4-carboxamide
PubChem CID126830073
Molecular FormulaC11H9Cl2F3N2O2
Molecular Weight329.11 g/mol
Exact Mass328.00
IUPAC Name2,5-dichloro-N-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]pyridine-4-carboxamide
SMILESO=C(NC1CC(O)(C(F)(F)F)C1)c1cc(Cl)ncc1Cl
InChIInChI=1S/C11H9Cl2F3N2O2/c12-7-4-17-8(13)1-6(7)9(19)18-5-2-10(20,3-5)11(14,15)16/h1,4-5,20H,2-3H2,(H,18,19)
InChIKeyNLUCBMWGLCDZLP-UHFFFAOYSA-N
XLogP2.57
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.11
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2,5-dichloro-N-(3-ethoxycyclobutyl)pyridine-4-carboxamide
CID 102612131
2,5-dichloro-N-(3-tricyclo[3.2.1.02,4]octanyl)pyridine-4-carboxamide
CID 105058307
2,5-dichloro-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide
CID 114917186
6-chloro-7-(difluoromethoxy)-N-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]quinoline-3-carboxamide
CID 129247820
2,5-dichloro-N-[2-(4-methylcyclohexyl)ethyl]pyridine-4-carboxamide
CID 114918550
tert-butyl 3-[(2,5-dichloropyridine-4-carbonyl)amino]pyrrolidine-1-carboxylate
CID 172648294
2,5-dichloro-N-(1-methylcyclopropyl)pyridine-4-carboxamide
CID 114918894
5-chloro-N-cyclobutyl-2-(methylamino)pyridine-4-carboxamide
CID 114923292
4,6-dichloro-N-(4-methylcyclohexyl)pyridine-3-carboxamide
CID 159995696
2,5-dichloro-N-(2-methyloxolan-3-yl)pyridine-4-carboxamide
CID 114918773
2,5-dichloro-N-[2-(3-methylcyclohexyl)ethyl]pyridine-4-carboxamide
CID 114918549
2,5-dichloro-N-(3,3,3-trifluoro-2-hydroxypropyl)pyridine-4-carboxamide
CID 105056220

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]pyridine-4-carboxamide?
The IUPAC name of 2,5-dichloro-N-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]pyridine-4-carboxamide (CID 126830073) is 2,5-dichloro-N-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]pyridine-4-carboxamide.
What is the SMILES notation for 2,5-dichloro-N-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]pyridine-4-carboxamide?
The canonical SMILES for 2,5-dichloro-N-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]pyridine-4-carboxamide is O=C(NC1CC(O)(C(F)(F)F)C1)c1cc(Cl)ncc1Cl.
What is the InChIKey of 2,5-dichloro-N-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]pyridine-4-carboxamide?
The InChIKey is NLUCBMWGLCDZLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2F3N2O2/c12-7-4-17-8(13)1-6(7)9(19)18-5-2-10(20,3-5)11(14,15)16/h1,4-5,20H,2-3H2,(H,18,19).
What are the key properties of 2,5-dichloro-N-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]pyridine-4-carboxamide?
2,5-dichloro-N-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]pyridine-4-carboxamide has a molecular weight of 329.11 g/mol, XLogP of 2.57, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]pyridine-4-carboxamide is sourced from PubChem (CID 126830073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).