N-(2,3,5,6-tetrafluoro-4-pyridinyl)butanamide

C9H8F4N2O — CID 130387820

IUPACN-(2,3,5,6-tetrafluoro-4-pyridinyl)butanamide
SMILESCCCC(=O)Nc1c(F)c(F)nc(F)c1F
InChIInChI=1S/C9H8F4N2O/c1-2-3-4(16)14-7-5(10)8(12)15-9(13)6(7)11/h2-3H2,1H3,(H,14,15,16)
InChIKeyPSDJHELYCBZXML-UHFFFAOYSA-N
MW236.17 g/mol
LogP2.38
Rot. Bonds3

About N-(2,3,5,6-tetrafluoro-4-pyridinyl)butanamide

N-(2,3,5,6-tetrafluoro-4-pyridinyl)butanamide (PubChem CID 130387820) has the molecular formula C9H8F4N2O and a molecular weight of 236.17 g/mol. Its IUPAC name is N-(2,3,5,6-tetrafluoro-4-pyridinyl)butanamide.

Molecular Properties

Compound NameN-(2,3,5,6-tetrafluoro-4-pyridinyl)butanamide
PubChem CID130387820
Molecular FormulaC9H8F4N2O
Molecular Weight236.17 g/mol
Exact Mass236.06
IUPAC NameN-(2,3,5,6-tetrafluoro-4-pyridinyl)butanamide
SMILESCCCC(=O)Nc1c(F)c(F)nc(F)c1F
InChIInChI=1S/C9H8F4N2O/c1-2-3-4(16)14-7-5(10)8(12)15-9(13)6(7)11/h2-3H2,1H3,(H,14,15,16)
InChIKeyPSDJHELYCBZXML-UHFFFAOYSA-N
XLogP2.38
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.17
LogP ≤ 52.38
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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Related Compounds

N-(2,3,4,5,6-pentafluorophenyl)undecanamide
CID 3554716
1-methyl-3,5-bis(trifluoromethyl)benzene;N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]butanamide
CID 144913560
2,2,2-trifluoro-N-(2,3,5,6-tetrafluoro-4-pyridinyl)acetamide
CID 169302963
N-(2,6-dimethylphenyl)-2-[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]acetamide
CID 133371036
N-(5-fluoro-4-methyl-1,3-thiazol-2-yl)butanamide
CID 130841255
N,N-diethyl-3-[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]propanamide
CID 115691610
N-(6-chloropyrazin-2-yl)butanamide
CID 115599315
N-(3,5-difluorophenyl)butanamide
CID 17271988
N-(4-methyl-1,3-oxazol-2-yl)butanamide
CID 21323611
ethane;N-(6-methyl-2-pyridinyl)butanamide
CID 143608787
N-(5,7-dimethyl-1,8-naphthyridin-2-yl)butanamide
CID 6488581
N-[2,6-dimethyl-4-(1,2,4-triazol-4-yl)phenyl]butanamide
CID 50880888

Frequently Asked Questions

What is the IUPAC name of N-(2,3,5,6-tetrafluoro-4-pyridinyl)butanamide?
The IUPAC name of N-(2,3,5,6-tetrafluoro-4-pyridinyl)butanamide (CID 130387820) is N-(2,3,5,6-tetrafluoro-4-pyridinyl)butanamide.
What is the SMILES notation for N-(2,3,5,6-tetrafluoro-4-pyridinyl)butanamide?
The canonical SMILES for N-(2,3,5,6-tetrafluoro-4-pyridinyl)butanamide is CCCC(=O)Nc1c(F)c(F)nc(F)c1F.
What is the InChIKey of N-(2,3,5,6-tetrafluoro-4-pyridinyl)butanamide?
The InChIKey is PSDJHELYCBZXML-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F4N2O/c1-2-3-4(16)14-7-5(10)8(12)15-9(13)6(7)11/h2-3H2,1H3,(H,14,15,16).
What are the key properties of N-(2,3,5,6-tetrafluoro-4-pyridinyl)butanamide?
N-(2,3,5,6-tetrafluoro-4-pyridinyl)butanamide has a molecular weight of 236.17 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3,5,6-tetrafluoro-4-pyridinyl)butanamide is sourced from PubChem (CID 130387820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).