6-bromo-N-(3,3,3-trifluoropropyl)pyridine-3-carboxamide

C9H8BrF3N2O — CID 66465126

IUPAC6-bromo-N-(3,3,3-trifluoropropyl)pyridine-3-carboxamide
SMILESO=C(NCCC(F)(F)F)c1ccc(Br)nc1
InChIInChI=1S/C9H8BrF3N2O/c10-7-2-1-6(5-15-7)8(16)14-4-3-9(11,12)13/h1-2,5H,3-4H2,(H,14,16)
InChIKeyGUNFZPCNWSVGEK-UHFFFAOYSA-N
MW297.07 g/mol
LogP2.53
Rot. Bonds3

About 6-bromo-N-(3,3,3-trifluoropropyl)pyridine-3-carboxamide

6-bromo-N-(3,3,3-trifluoropropyl)pyridine-3-carboxamide (PubChem CID 66465126) has the molecular formula C9H8BrF3N2O and a molecular weight of 297.07 g/mol. Its IUPAC name is 6-bromo-N-(3,3,3-trifluoropropyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-bromo-N-(3,3,3-trifluoropropyl)pyridine-3-carboxamide
PubChem CID66465126
Molecular FormulaC9H8BrF3N2O
Molecular Weight297.07 g/mol
Exact Mass295.98
IUPAC Name6-bromo-N-(3,3,3-trifluoropropyl)pyridine-3-carboxamide
SMILESO=C(NCCC(F)(F)F)c1ccc(Br)nc1
InChIInChI=1S/C9H8BrF3N2O/c10-7-2-1-6(5-15-7)8(16)14-4-3-9(11,12)13/h1-2,5H,3-4H2,(H,14,16)
InChIKeyGUNFZPCNWSVGEK-UHFFFAOYSA-N
XLogP2.53
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.07
LogP ≤ 52.53
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

6-bromo-N-(4,4,4-trifluorobutyl)pyridine-3-carboxamide
CID 79420880
6-bromo-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-3-carboxamide
CID 66462180
6-(methylamino)-N-(3,3,3-trifluoropropyl)pyridine-3-carboxamide
CID 63227522
N-(3-amino-3-oxopropyl)-6-bromopyridine-3-carboxamide
CID 66463277
5-[(6-bromopyridine-3-carbonyl)amino]pentanoic acid
CID 66463056
N-(3,3,3-trifluoropropyl)pyridine-3-carboxamide
CID 91045435
4-bromo-3-(trifluoromethyl)-N-(3,3,3-trifluoropropyl)benzamide
CID 81433410
6-bromo-N-(2,2-dimethylbutyl)pyridine-3-carboxamide
CID 103461110
6-bromo-N-[2-[methyl(propan-2-yl)amino]ethyl]pyridine-3-carboxamide
CID 66464337
6-bromo-N-[2-(1,3-thiazol-2-yl)ethyl]pyridine-3-carboxamide
CID 66462176
4-bromo-3-nitro-N-(3,3,3-trifluoropropyl)benzamide
CID 63226688
6-(methylamino)-N-(5,5,5-trifluoropentyl)pyridine-3-carboxamide
CID 115522150

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(3,3,3-trifluoropropyl)pyridine-3-carboxamide?
The IUPAC name of 6-bromo-N-(3,3,3-trifluoropropyl)pyridine-3-carboxamide (CID 66465126) is 6-bromo-N-(3,3,3-trifluoropropyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-bromo-N-(3,3,3-trifluoropropyl)pyridine-3-carboxamide?
The canonical SMILES for 6-bromo-N-(3,3,3-trifluoropropyl)pyridine-3-carboxamide is O=C(NCCC(F)(F)F)c1ccc(Br)nc1.
What is the InChIKey of 6-bromo-N-(3,3,3-trifluoropropyl)pyridine-3-carboxamide?
The InChIKey is GUNFZPCNWSVGEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrF3N2O/c10-7-2-1-6(5-15-7)8(16)14-4-3-9(11,12)13/h1-2,5H,3-4H2,(H,14,16).
What are the key properties of 6-bromo-N-(3,3,3-trifluoropropyl)pyridine-3-carboxamide?
6-bromo-N-(3,3,3-trifluoropropyl)pyridine-3-carboxamide has a molecular weight of 297.07 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(3,3,3-trifluoropropyl)pyridine-3-carboxamide is sourced from PubChem (CID 66465126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).