6-bromo-N-(4,4,4-trifluorobutyl)pyridine-3-carboxamide

C10H10BrF3N2O — CID 79420880

IUPAC6-bromo-N-(4,4,4-trifluorobutyl)pyridine-3-carboxamide
SMILESO=C(NCCCC(F)(F)F)c1ccc(Br)nc1
InChIInChI=1S/C10H10BrF3N2O/c11-8-3-2-7(6-16-8)9(17)15-5-1-4-10(12,13)14/h2-3,6H,1,4-5H2,(H,15,17)
InChIKeyPHRZXDGRBZQRIK-UHFFFAOYSA-N
MW311.10 g/mol
LogP2.92
Rot. Bonds4

About 6-bromo-N-(4,4,4-trifluorobutyl)pyridine-3-carboxamide

6-bromo-N-(4,4,4-trifluorobutyl)pyridine-3-carboxamide (PubChem CID 79420880) has the molecular formula C10H10BrF3N2O and a molecular weight of 311.10 g/mol. Its IUPAC name is 6-bromo-N-(4,4,4-trifluorobutyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-bromo-N-(4,4,4-trifluorobutyl)pyridine-3-carboxamide
PubChem CID79420880
Molecular FormulaC10H10BrF3N2O
Molecular Weight311.10 g/mol
Exact Mass309.99
IUPAC Name6-bromo-N-(4,4,4-trifluorobutyl)pyridine-3-carboxamide
SMILESO=C(NCCCC(F)(F)F)c1ccc(Br)nc1
InChIInChI=1S/C10H10BrF3N2O/c11-8-3-2-7(6-16-8)9(17)15-5-1-4-10(12,13)14/h2-3,6H,1,4-5H2,(H,15,17)
InChIKeyPHRZXDGRBZQRIK-UHFFFAOYSA-N
XLogP2.92
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.10
LogP ≤ 52.92
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

6-bromo-N-(3,3,3-trifluoropropyl)pyridine-3-carboxamide
CID 66465126
6-bromo-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-3-carboxamide
CID 66462180
5-[(6-bromopyridine-3-carbonyl)amino]pentanoic acid
CID 66463056
6-(methylamino)-N-(5,5,5-trifluoropentyl)pyridine-3-carboxamide
CID 115522150
N-(3-amino-3-oxopropyl)-6-bromopyridine-3-carboxamide
CID 66463277
4-bromo-3-hydroxy-N-(4,4,4-trifluorobutyl)benzamide
CID 103873578
4-iodo-N-(4,4,4-trifluorobutyl)benzamide
CID 79039211
4-bromo-3-methyl-N-(4,4,4-trifluorobutyl)benzamide
CID 113339239
6-bromo-N-[3-[methyl(propan-2-yl)amino]propyl]pyridine-3-carboxamide
CID 103719046
4-hydrazinyl-N-(4,4,4-trifluorobutyl)benzamide
CID 115522193
4-(4,4,4-trifluorobutylcarbamoyl)benzenesulfonyl chloride
CID 115519611
6-(methylamino)-N-(3,3,3-trifluoropropyl)pyridine-3-carboxamide
CID 63227522

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(4,4,4-trifluorobutyl)pyridine-3-carboxamide?
The IUPAC name of 6-bromo-N-(4,4,4-trifluorobutyl)pyridine-3-carboxamide (CID 79420880) is 6-bromo-N-(4,4,4-trifluorobutyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-bromo-N-(4,4,4-trifluorobutyl)pyridine-3-carboxamide?
The canonical SMILES for 6-bromo-N-(4,4,4-trifluorobutyl)pyridine-3-carboxamide is O=C(NCCCC(F)(F)F)c1ccc(Br)nc1.
What is the InChIKey of 6-bromo-N-(4,4,4-trifluorobutyl)pyridine-3-carboxamide?
The InChIKey is PHRZXDGRBZQRIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrF3N2O/c11-8-3-2-7(6-16-8)9(17)15-5-1-4-10(12,13)14/h2-3,6H,1,4-5H2,(H,15,17).
What are the key properties of 6-bromo-N-(4,4,4-trifluorobutyl)pyridine-3-carboxamide?
6-bromo-N-(4,4,4-trifluorobutyl)pyridine-3-carboxamide has a molecular weight of 311.10 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(4,4,4-trifluorobutyl)pyridine-3-carboxamide is sourced from PubChem (CID 79420880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).