3-bromo-6-fluoro-N-pentylpyridine-2-carboxamide

C11H14BrFN2O — CID 122134313

IUPAC3-bromo-6-fluoro-N-pentylpyridine-2-carboxamide
SMILESCCCCCNC(=O)c1nc(F)ccc1Br
InChIInChI=1S/C11H14BrFN2O/c1-2-3-4-7-14-11(16)10-8(12)5-6-9(13)15-10/h5-6H,2-4,7H2,1H3,(H,14,16)
InChIKeyRENOZYSOLYBNOM-UHFFFAOYSA-N
MW289.15 g/mol
LogP2.90
Rot. Bonds5

About 3-bromo-6-fluoro-N-pentylpyridine-2-carboxamide

3-bromo-6-fluoro-N-pentylpyridine-2-carboxamide (PubChem CID 122134313) has the molecular formula C11H14BrFN2O and a molecular weight of 289.15 g/mol. Its IUPAC name is 3-bromo-6-fluoro-N-pentylpyridine-2-carboxamide.

Molecular Properties

Compound Name3-bromo-6-fluoro-N-pentylpyridine-2-carboxamide
PubChem CID122134313
Molecular FormulaC11H14BrFN2O
Molecular Weight289.15 g/mol
Exact Mass288.03
IUPAC Name3-bromo-6-fluoro-N-pentylpyridine-2-carboxamide
SMILESCCCCCNC(=O)c1nc(F)ccc1Br
InChIInChI=1S/C11H14BrFN2O/c1-2-3-4-7-14-11(16)10-8(12)5-6-9(13)15-10/h5-6H,2-4,7H2,1H3,(H,14,16)
InChIKeyRENOZYSOLYBNOM-UHFFFAOYSA-N
XLogP2.90
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.15
LogP ≤ 52.90
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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Frequently Asked Questions

What is the IUPAC name of 3-bromo-6-fluoro-N-pentylpyridine-2-carboxamide?
The IUPAC name of 3-bromo-6-fluoro-N-pentylpyridine-2-carboxamide (CID 122134313) is 3-bromo-6-fluoro-N-pentylpyridine-2-carboxamide.
What is the SMILES notation for 3-bromo-6-fluoro-N-pentylpyridine-2-carboxamide?
The canonical SMILES for 3-bromo-6-fluoro-N-pentylpyridine-2-carboxamide is CCCCCNC(=O)c1nc(F)ccc1Br.
What is the InChIKey of 3-bromo-6-fluoro-N-pentylpyridine-2-carboxamide?
The InChIKey is RENOZYSOLYBNOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrFN2O/c1-2-3-4-7-14-11(16)10-8(12)5-6-9(13)15-10/h5-6H,2-4,7H2,1H3,(H,14,16).
What are the key properties of 3-bromo-6-fluoro-N-pentylpyridine-2-carboxamide?
3-bromo-6-fluoro-N-pentylpyridine-2-carboxamide has a molecular weight of 289.15 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-6-fluoro-N-pentylpyridine-2-carboxamide is sourced from PubChem (CID 122134313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).