N-(6-chloro-3-pyridinyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide

C9H5ClF6N2O — CID 106741317

IUPACN-(6-chloro-3-pyridinyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
SMILESO=C(Nc1ccc(Cl)nc1)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H5ClF6N2O/c10-5-2-1-4(3-17-5)18-7(19)6(8(11,12)13)9(14,15)16/h1-3,6H,(H,18,19)
InChIKeyCVJHBVGFFPGOEX-UHFFFAOYSA-N
MW306.59 g/mol
LogP3.41
Rot. Bonds2

About N-(6-chloro-3-pyridinyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide

N-(6-chloro-3-pyridinyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide (PubChem CID 106741317) has the molecular formula C9H5ClF6N2O and a molecular weight of 306.59 g/mol. Its IUPAC name is N-(6-chloro-3-pyridinyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide.

Molecular Properties

Compound NameN-(6-chloro-3-pyridinyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
PubChem CID106741317
Molecular FormulaC9H5ClF6N2O
Molecular Weight306.59 g/mol
Exact Mass306.00
IUPAC NameN-(6-chloro-3-pyridinyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
SMILESO=C(Nc1ccc(Cl)nc1)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H5ClF6N2O/c10-5-2-1-4(3-17-5)18-7(19)6(8(11,12)13)9(14,15)16/h1-3,6H,(H,18,19)
InChIKeyCVJHBVGFFPGOEX-UHFFFAOYSA-N
XLogP3.41
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.59
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-3-pyridinyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide?
The IUPAC name of N-(6-chloro-3-pyridinyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide (CID 106741317) is N-(6-chloro-3-pyridinyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide.
What is the SMILES notation for N-(6-chloro-3-pyridinyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide?
The canonical SMILES for N-(6-chloro-3-pyridinyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide is O=C(Nc1ccc(Cl)nc1)C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of N-(6-chloro-3-pyridinyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide?
The InChIKey is CVJHBVGFFPGOEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5ClF6N2O/c10-5-2-1-4(3-17-5)18-7(19)6(8(11,12)13)9(14,15)16/h1-3,6H,(H,18,19).
What are the key properties of N-(6-chloro-3-pyridinyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide?
N-(6-chloro-3-pyridinyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide has a molecular weight of 306.59 g/mol, XLogP of 3.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-3-pyridinyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide is sourced from PubChem (CID 106741317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).