3-fluoro-1,2,3,6-tetrahydropyridine-5-carboxamide

C6H9FN2O — CID 70552733

IUPAC3-fluoro-1,2,3,6-tetrahydropyridine-5-carboxamide
SMILESNC(=O)C1=CC(F)CNC1
InChIInChI=1S/C6H9FN2O/c7-5-1-4(6(8)10)2-9-3-5/h1,5,9H,2-3H2,(H2,8,10)
InChIKeyCKNIKSFNBYCYEC-UHFFFAOYSA-N
MW144.15 g/mol
LogP-0.66
Rot. Bonds1

About 3-fluoro-1,2,3,6-tetrahydropyridine-5-carboxamide

3-fluoro-1,2,3,6-tetrahydropyridine-5-carboxamide (PubChem CID 70552733) has the molecular formula C6H9FN2O and a molecular weight of 144.15 g/mol. Its IUPAC name is 3-fluoro-1,2,3,6-tetrahydropyridine-5-carboxamide.

Molecular Properties

Compound Name3-fluoro-1,2,3,6-tetrahydropyridine-5-carboxamide
PubChem CID70552733
Molecular FormulaC6H9FN2O
Molecular Weight144.15 g/mol
Exact Mass144.07
IUPAC Name3-fluoro-1,2,3,6-tetrahydropyridine-5-carboxamide
SMILESNC(=O)C1=CC(F)CNC1
InChIInChI=1S/C6H9FN2O/c7-5-1-4(6(8)10)2-9-3-5/h1,5,9H,2-3H2,(H2,8,10)
InChIKeyCKNIKSFNBYCYEC-UHFFFAOYSA-N
XLogP-0.66
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.15
LogP ≤ 5-0.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1,2,3,6-tetrahydropyridine-5-carboxamide?
The IUPAC name of 3-fluoro-1,2,3,6-tetrahydropyridine-5-carboxamide (CID 70552733) is 3-fluoro-1,2,3,6-tetrahydropyridine-5-carboxamide.
What is the SMILES notation for 3-fluoro-1,2,3,6-tetrahydropyridine-5-carboxamide?
The canonical SMILES for 3-fluoro-1,2,3,6-tetrahydropyridine-5-carboxamide is NC(=O)C1=CC(F)CNC1.
What is the InChIKey of 3-fluoro-1,2,3,6-tetrahydropyridine-5-carboxamide?
The InChIKey is CKNIKSFNBYCYEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9FN2O/c7-5-1-4(6(8)10)2-9-3-5/h1,5,9H,2-3H2,(H2,8,10).
What are the key properties of 3-fluoro-1,2,3,6-tetrahydropyridine-5-carboxamide?
3-fluoro-1,2,3,6-tetrahydropyridine-5-carboxamide has a molecular weight of 144.15 g/mol, XLogP of -0.66, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1,2,3,6-tetrahydropyridine-5-carboxamide is sourced from PubChem (CID 70552733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).