N-[6-bromo-4-(trifluoromethyl)-2-pyridinyl]oxolane-2-carboxamide

C11H10BrF3N2O2 — CID 126832007

IUPACN-[6-bromo-4-(trifluoromethyl)-2-pyridinyl]oxolane-2-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)cc(Br)n1)C1CCCO1
InChIInChI=1S/C11H10BrF3N2O2/c12-8-4-6(11(13,14)15)5-9(16-8)17-10(18)7-2-1-3-19-7/h4-5,7H,1-3H2,(H,16,17,18)
InChIKeyMWCUEWHMYSWIAS-UHFFFAOYSA-N
MW339.11 g/mol
LogP2.98
Rot. Bonds2

About N-[6-bromo-4-(trifluoromethyl)-2-pyridinyl]oxolane-2-carboxamide

N-[6-bromo-4-(trifluoromethyl)-2-pyridinyl]oxolane-2-carboxamide (PubChem CID 126832007) has the molecular formula C11H10BrF3N2O2 and a molecular weight of 339.11 g/mol. Its IUPAC name is N-[6-bromo-4-(trifluoromethyl)-2-pyridinyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[6-bromo-4-(trifluoromethyl)-2-pyridinyl]oxolane-2-carboxamide
PubChem CID126832007
Molecular FormulaC11H10BrF3N2O2
Molecular Weight339.11 g/mol
Exact Mass337.99
IUPAC NameN-[6-bromo-4-(trifluoromethyl)-2-pyridinyl]oxolane-2-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)cc(Br)n1)C1CCCO1
InChIInChI=1S/C11H10BrF3N2O2/c12-8-4-6(11(13,14)15)5-9(16-8)17-10(18)7-2-1-3-19-7/h4-5,7H,1-3H2,(H,16,17,18)
InChIKeyMWCUEWHMYSWIAS-UHFFFAOYSA-N
XLogP2.98
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.11
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-N-[4-(trifluoromethyl)phenyl]oxolane-2-carboxamide
CID 1245791
N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)-5-(trifluoromethyl)phenyl]oxolane-2-carboxamide
CID 126815325
2-[[(2R)-oxolane-2-carbonyl]amino]-5-(trifluoromethyl)benzoic acid
CID 104855806
(2S)-N-(5-bromo-2-pyridinyl)oxolane-2-carboxamide
CID 7346608
N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]oxane-2-carboxamide
CID 155950777
N-(1,5-dimethylpyrazol-3-yl)oxolane-2-carboxamide
CID 56725172
3-[[(2S)-oxolane-2-carbonyl]amino]-1H-pyrazole-5-carboxylic acid
CID 104855741
(2S)-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]oxolane-2-carboxamide
CID 39964639
(2R)-N-(4-bromo-3,5-dimethylphenyl)oxolane-2-carboxamide
CID 103582033
(2S)-N-(3,5-dibromo-4-hydroxyphenyl)oxolane-2-carboxamide
CID 9319932
(2R)-N-(7-chloro-2-methylpyrazolo[1,5-a]pyrimidin-5-yl)oxolane-2-carboxamide
CID 126826055
(2R)-N-(6-methyl-2-pyridinyl)oxolane-2-carboxamide
CID 40572544

Frequently Asked Questions

What is the IUPAC name of N-[6-bromo-4-(trifluoromethyl)-2-pyridinyl]oxolane-2-carboxamide?
The IUPAC name of N-[6-bromo-4-(trifluoromethyl)-2-pyridinyl]oxolane-2-carboxamide (CID 126832007) is N-[6-bromo-4-(trifluoromethyl)-2-pyridinyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[6-bromo-4-(trifluoromethyl)-2-pyridinyl]oxolane-2-carboxamide?
The canonical SMILES for N-[6-bromo-4-(trifluoromethyl)-2-pyridinyl]oxolane-2-carboxamide is O=C(Nc1cc(C(F)(F)F)cc(Br)n1)C1CCCO1.
What is the InChIKey of N-[6-bromo-4-(trifluoromethyl)-2-pyridinyl]oxolane-2-carboxamide?
The InChIKey is MWCUEWHMYSWIAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrF3N2O2/c12-8-4-6(11(13,14)15)5-9(16-8)17-10(18)7-2-1-3-19-7/h4-5,7H,1-3H2,(H,16,17,18).
What are the key properties of N-[6-bromo-4-(trifluoromethyl)-2-pyridinyl]oxolane-2-carboxamide?
N-[6-bromo-4-(trifluoromethyl)-2-pyridinyl]oxolane-2-carboxamide has a molecular weight of 339.11 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-bromo-4-(trifluoromethyl)-2-pyridinyl]oxolane-2-carboxamide is sourced from PubChem (CID 126832007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).