5,6-dichloro-N-(5,5,5-trifluoropentyl)pyridine-3-carboxamide

C11H11Cl2F3N2O — CID 115491613

IUPAC5,6-dichloro-N-(5,5,5-trifluoropentyl)pyridine-3-carboxamide
SMILESO=C(NCCCCC(F)(F)F)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C11H11Cl2F3N2O/c12-8-5-7(6-18-9(8)13)10(19)17-4-2-1-3-11(14,15)16/h5-6H,1-4H2,(H,17,19)
InChIKeyDNUGGVITJBJLRE-UHFFFAOYSA-N
MW315.12 g/mol
LogP3.85
Rot. Bonds5

About 5,6-dichloro-N-(5,5,5-trifluoropentyl)pyridine-3-carboxamide

5,6-dichloro-N-(5,5,5-trifluoropentyl)pyridine-3-carboxamide (PubChem CID 115491613) has the molecular formula C11H11Cl2F3N2O and a molecular weight of 315.12 g/mol. Its IUPAC name is 5,6-dichloro-N-(5,5,5-trifluoropentyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5,6-dichloro-N-(5,5,5-trifluoropentyl)pyridine-3-carboxamide
PubChem CID115491613
Molecular FormulaC11H11Cl2F3N2O
Molecular Weight315.12 g/mol
Exact Mass314.02
IUPAC Name5,6-dichloro-N-(5,5,5-trifluoropentyl)pyridine-3-carboxamide
SMILESO=C(NCCCCC(F)(F)F)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C11H11Cl2F3N2O/c12-8-5-7(6-18-9(8)13)10(19)17-4-2-1-3-11(14,15)16/h5-6H,1-4H2,(H,17,19)
InChIKeyDNUGGVITJBJLRE-UHFFFAOYSA-N
XLogP3.85
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.12
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5,6-dichloro-N-(6-hydroxyhexyl)pyridine-3-carboxamide
CID 103918869
5,6-dichloro-N-(4-cyanobutyl)pyridine-3-carboxamide
CID 63284447
5,6-dichloro-N-(4-methylsulfanylbutyl)pyridine-3-carboxamide
CID 115635827
5,6-dichloro-N-(3-methylsulfanylpropyl)pyridine-3-carboxamide
CID 63964074
4-amino-3-chloro-N-(5,5,5-trifluoropentyl)benzamide
CID 115519387
N-[2-(carbamoylamino)ethyl]-5,6-dichloropyridine-3-carboxamide
CID 78995207
5,6-dichloro-N-(4-propan-2-yloxybutyl)pyridine-3-carboxamide
CID 113382032
5-[(5,6-dichloropyridine-3-carbonyl)amino]-2-methylpentanoic acid
CID 104682536
5,6-dichloro-N-[3-[methyl(propan-2-yl)amino]propyl]pyridine-3-carboxamide
CID 103614113
6-(methylamino)-N-(5,5,5-trifluoropentyl)pyridine-3-carboxamide
CID 115522150
5,6-dichloro-N-(3-pyrazol-1-ylpropyl)pyridine-3-carboxamide
CID 112684462
5,6-dichloro-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyridine-3-carboxamide
CID 64547910

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-N-(5,5,5-trifluoropentyl)pyridine-3-carboxamide?
The IUPAC name of 5,6-dichloro-N-(5,5,5-trifluoropentyl)pyridine-3-carboxamide (CID 115491613) is 5,6-dichloro-N-(5,5,5-trifluoropentyl)pyridine-3-carboxamide.
What is the SMILES notation for 5,6-dichloro-N-(5,5,5-trifluoropentyl)pyridine-3-carboxamide?
The canonical SMILES for 5,6-dichloro-N-(5,5,5-trifluoropentyl)pyridine-3-carboxamide is O=C(NCCCCC(F)(F)F)c1cnc(Cl)c(Cl)c1.
What is the InChIKey of 5,6-dichloro-N-(5,5,5-trifluoropentyl)pyridine-3-carboxamide?
The InChIKey is DNUGGVITJBJLRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2F3N2O/c12-8-5-7(6-18-9(8)13)10(19)17-4-2-1-3-11(14,15)16/h5-6H,1-4H2,(H,17,19).
What are the key properties of 5,6-dichloro-N-(5,5,5-trifluoropentyl)pyridine-3-carboxamide?
5,6-dichloro-N-(5,5,5-trifluoropentyl)pyridine-3-carboxamide has a molecular weight of 315.12 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-N-(5,5,5-trifluoropentyl)pyridine-3-carboxamide is sourced from PubChem (CID 115491613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).