6-bromo-N-(3-hydroxycyclobutyl)-2-(trifluoromethyl)pyridine-3-carboxamide

C11H10BrF3N2O2 — CID 139017711

IUPAC6-bromo-N-(3-hydroxycyclobutyl)-2-(trifluoromethyl)pyridine-3-carboxamide
SMILESO=C(NC1CC(O)C1)c1ccc(Br)nc1C(F)(F)F
InChIInChI=1S/C11H10BrF3N2O2/c12-8-2-1-7(9(17-8)11(13,14)15)10(19)16-5-3-6(18)4-5/h1-2,5-6,18H,3-4H2,(H,16,19)
InChIKeyUTJMOOKQWKYDAW-UHFFFAOYSA-N
MW339.11 g/mol
LogP2.12
Rot. Bonds2

About 6-bromo-N-(3-hydroxycyclobutyl)-2-(trifluoromethyl)pyridine-3-carboxamide

6-bromo-N-(3-hydroxycyclobutyl)-2-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 139017711) has the molecular formula C11H10BrF3N2O2 and a molecular weight of 339.11 g/mol. Its IUPAC name is 6-bromo-N-(3-hydroxycyclobutyl)-2-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-bromo-N-(3-hydroxycyclobutyl)-2-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID139017711
Molecular FormulaC11H10BrF3N2O2
Molecular Weight339.11 g/mol
Exact Mass337.99
IUPAC Name6-bromo-N-(3-hydroxycyclobutyl)-2-(trifluoromethyl)pyridine-3-carboxamide
SMILESO=C(NC1CC(O)C1)c1ccc(Br)nc1C(F)(F)F
InChIInChI=1S/C11H10BrF3N2O2/c12-8-2-1-7(9(17-8)11(13,14)15)10(19)16-5-3-6(18)4-5/h1-2,5-6,18H,3-4H2,(H,16,19)
InChIKeyUTJMOOKQWKYDAW-UHFFFAOYSA-N
XLogP2.12
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.11
LogP ≤ 52.12
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

2,4-dibromo-N-(3-hydroxycyclobutyl)benzamide
CID 107939661
N-(3-hydroxycyclobutyl)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 114909152
N-(4-hydroxycyclohexyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 134004658
6-bromo-N-[3-(trifluoromethyl)cyclohexyl]pyridine-2-carboxamide
CID 103875087
2-bromo-N-cyclopent-3-en-1-yl-4-methylbenzamide
CID 115766037
5-bromo-N-[(1S,2R)-2-hydroxycyclohexyl]-6-(2,2,2-trifluoroethoxy)-2-(trifluoromethyl)pyridine-3-carboxamide
CID 86634806
2-chloro-N-cyclohexyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 171367592
N-cyclohexyl-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 31852499
4-bromo-2-fluoro-N-(4-hydroxycyclohexyl)benzamide
CID 24694578
2-fluoro-N-(3-hydroxycyclobutyl)-5-(1H-pyrazol-5-yl)benzamide
CID 155957417
4-bromo-N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-(trifluoromethyl)benzamide
CID 104956518
N-[(3aR,5S,6S,7aS)-6-hydroxy-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-5-yl]-5-(trifluoromethyl)thieno[3,2-b]pyridine-6-carboxamide
CID 172674045

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(3-hydroxycyclobutyl)-2-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of 6-bromo-N-(3-hydroxycyclobutyl)-2-(trifluoromethyl)pyridine-3-carboxamide (CID 139017711) is 6-bromo-N-(3-hydroxycyclobutyl)-2-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-bromo-N-(3-hydroxycyclobutyl)-2-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for 6-bromo-N-(3-hydroxycyclobutyl)-2-(trifluoromethyl)pyridine-3-carboxamide is O=C(NC1CC(O)C1)c1ccc(Br)nc1C(F)(F)F.
What is the InChIKey of 6-bromo-N-(3-hydroxycyclobutyl)-2-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is UTJMOOKQWKYDAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrF3N2O2/c12-8-2-1-7(9(17-8)11(13,14)15)10(19)16-5-3-6(18)4-5/h1-2,5-6,18H,3-4H2,(H,16,19).
What are the key properties of 6-bromo-N-(3-hydroxycyclobutyl)-2-(trifluoromethyl)pyridine-3-carboxamide?
6-bromo-N-(3-hydroxycyclobutyl)-2-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 339.11 g/mol, XLogP of 2.12, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(3-hydroxycyclobutyl)-2-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 139017711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).