6-bromo-N-(3-fluoro-1-methylpiperidin-4-yl)pyridine-2-carboxamide

C12H15BrFN3O — CID 162526922

IUPAC6-bromo-N-(3-fluoro-1-methylpiperidin-4-yl)pyridine-2-carboxamide
SMILESCN1CCC(NC(=O)c2cccc(Br)n2)C(F)C1
InChIInChI=1S/C12H15BrFN3O/c1-17-6-5-9(8(14)7-17)16-12(18)10-3-2-4-11(13)15-10/h2-4,8-9H,5-7H2,1H3,(H,16,18)
InChIKeyBRYCDQQKBXORAL-UHFFFAOYSA-N
MW316.17 g/mol
LogP1.62
Rot. Bonds2

About 6-bromo-N-(3-fluoro-1-methylpiperidin-4-yl)pyridine-2-carboxamide

6-bromo-N-(3-fluoro-1-methylpiperidin-4-yl)pyridine-2-carboxamide (PubChem CID 162526922) has the molecular formula C12H15BrFN3O and a molecular weight of 316.17 g/mol. Its IUPAC name is 6-bromo-N-(3-fluoro-1-methylpiperidin-4-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-bromo-N-(3-fluoro-1-methylpiperidin-4-yl)pyridine-2-carboxamide
PubChem CID162526922
Molecular FormulaC12H15BrFN3O
Molecular Weight316.17 g/mol
Exact Mass315.04
IUPAC Name6-bromo-N-(3-fluoro-1-methylpiperidin-4-yl)pyridine-2-carboxamide
SMILESCN1CCC(NC(=O)c2cccc(Br)n2)C(F)C1
InChIInChI=1S/C12H15BrFN3O/c1-17-6-5-9(8(14)7-17)16-12(18)10-3-2-4-11(13)15-10/h2-4,8-9H,5-7H2,1H3,(H,16,18)
InChIKeyBRYCDQQKBXORAL-UHFFFAOYSA-N
XLogP1.62
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.17
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(3-fluoro-1-methylpiperidin-4-yl)pyridine-2-carboxamide?
The IUPAC name of 6-bromo-N-(3-fluoro-1-methylpiperidin-4-yl)pyridine-2-carboxamide (CID 162526922) is 6-bromo-N-(3-fluoro-1-methylpiperidin-4-yl)pyridine-2-carboxamide.
What is the SMILES notation for 6-bromo-N-(3-fluoro-1-methylpiperidin-4-yl)pyridine-2-carboxamide?
The canonical SMILES for 6-bromo-N-(3-fluoro-1-methylpiperidin-4-yl)pyridine-2-carboxamide is CN1CCC(NC(=O)c2cccc(Br)n2)C(F)C1.
What is the InChIKey of 6-bromo-N-(3-fluoro-1-methylpiperidin-4-yl)pyridine-2-carboxamide?
The InChIKey is BRYCDQQKBXORAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrFN3O/c1-17-6-5-9(8(14)7-17)16-12(18)10-3-2-4-11(13)15-10/h2-4,8-9H,5-7H2,1H3,(H,16,18).
What are the key properties of 6-bromo-N-(3-fluoro-1-methylpiperidin-4-yl)pyridine-2-carboxamide?
6-bromo-N-(3-fluoro-1-methylpiperidin-4-yl)pyridine-2-carboxamide has a molecular weight of 316.17 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(3-fluoro-1-methylpiperidin-4-yl)pyridine-2-carboxamide is sourced from PubChem (CID 162526922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).