[2-chloro-5-fluoro-6-(4-iminopiperidin-1-yl)-3-pyridinyl]methanol

C11H13ClFN3O — CID 141306040

IUPAC[2-chloro-5-fluoro-6-(4-iminopiperidin-1-yl)-3-pyridinyl]methanol
SMILES[H]N=C1CCN(c2nc(Cl)c(CO)cc2F)CC1
InChIInChI=1S/C11H13ClFN3O/c12-10-7(6-17)5-9(13)11(15-10)16-3-1-8(14)2-4-16/h5,14,17H,1-4,6H2
InChIKeyHFDHMLROXLSLHG-UHFFFAOYSA-N
MW257.70 g/mol
LogP1.99
Rot. Bonds2

About [2-chloro-5-fluoro-6-(4-iminopiperidin-1-yl)-3-pyridinyl]methanol

[2-chloro-5-fluoro-6-(4-iminopiperidin-1-yl)-3-pyridinyl]methanol (PubChem CID 141306040) has the molecular formula C11H13ClFN3O and a molecular weight of 257.70 g/mol. Its IUPAC name is [2-chloro-5-fluoro-6-(4-iminopiperidin-1-yl)-3-pyridinyl]methanol.

Molecular Properties

Compound Name[2-chloro-5-fluoro-6-(4-iminopiperidin-1-yl)-3-pyridinyl]methanol
PubChem CID141306040
Molecular FormulaC11H13ClFN3O
Molecular Weight257.70 g/mol
Exact Mass257.07
IUPAC Name[2-chloro-5-fluoro-6-(4-iminopiperidin-1-yl)-3-pyridinyl]methanol
SMILES[H]N=C1CCN(c2nc(Cl)c(CO)cc2F)CC1
InChIInChI=1S/C11H13ClFN3O/c12-10-7(6-17)5-9(13)11(15-10)16-3-1-8(14)2-4-16/h5,14,17H,1-4,6H2
InChIKeyHFDHMLROXLSLHG-UHFFFAOYSA-N
XLogP1.99
TPSA60.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.70
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-chloro-5-fluoro-6-(4-iminopiperidin-1-yl)-3-pyridinyl]methanol?
The IUPAC name of [2-chloro-5-fluoro-6-(4-iminopiperidin-1-yl)-3-pyridinyl]methanol (CID 141306040) is [2-chloro-5-fluoro-6-(4-iminopiperidin-1-yl)-3-pyridinyl]methanol.
What is the SMILES notation for [2-chloro-5-fluoro-6-(4-iminopiperidin-1-yl)-3-pyridinyl]methanol?
The canonical SMILES for [2-chloro-5-fluoro-6-(4-iminopiperidin-1-yl)-3-pyridinyl]methanol is [H]N=C1CCN(c2nc(Cl)c(CO)cc2F)CC1.
What is the InChIKey of [2-chloro-5-fluoro-6-(4-iminopiperidin-1-yl)-3-pyridinyl]methanol?
The InChIKey is HFDHMLROXLSLHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClFN3O/c12-10-7(6-17)5-9(13)11(15-10)16-3-1-8(14)2-4-16/h5,14,17H,1-4,6H2.
What are the key properties of [2-chloro-5-fluoro-6-(4-iminopiperidin-1-yl)-3-pyridinyl]methanol?
[2-chloro-5-fluoro-6-(4-iminopiperidin-1-yl)-3-pyridinyl]methanol has a molecular weight of 257.70 g/mol, XLogP of 1.99, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-5-fluoro-6-(4-iminopiperidin-1-yl)-3-pyridinyl]methanol is sourced from PubChem (CID 141306040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).