2-chloro-5-[(4,4-difluoropiperidin-1-yl)methyl]pyridine

C11H13ClF2N2 — CID 59525831

IUPAC2-chloro-5-[(4,4-difluoropiperidin-1-yl)methyl]pyridine
SMILESFC1(F)CCN(Cc2ccc(Cl)nc2)CC1
InChIInChI=1S/C11H13ClF2N2/c12-10-2-1-9(7-15-10)8-16-5-3-11(13,14)4-6-16/h1-2,7H,3-6,8H2
InChIKeyHMIJOXHNCGGLLT-UHFFFAOYSA-N
MW246.69 g/mol
LogP2.97
Rot. Bonds2

About 2-chloro-5-[(4,4-difluoropiperidin-1-yl)methyl]pyridine

2-chloro-5-[(4,4-difluoropiperidin-1-yl)methyl]pyridine (PubChem CID 59525831) has the molecular formula C11H13ClF2N2 and a molecular weight of 246.69 g/mol. Its IUPAC name is 2-chloro-5-[(4,4-difluoropiperidin-1-yl)methyl]pyridine.

Molecular Properties

Compound Name2-chloro-5-[(4,4-difluoropiperidin-1-yl)methyl]pyridine
PubChem CID59525831
Molecular FormulaC11H13ClF2N2
Molecular Weight246.69 g/mol
Exact Mass246.07
IUPAC Name2-chloro-5-[(4,4-difluoropiperidin-1-yl)methyl]pyridine
SMILESFC1(F)CCN(Cc2ccc(Cl)nc2)CC1
InChIInChI=1S/C11H13ClF2N2/c12-10-2-1-9(7-15-10)8-16-5-3-11(13,14)4-6-16/h1-2,7H,3-6,8H2
InChIKeyHMIJOXHNCGGLLT-UHFFFAOYSA-N
XLogP2.97
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.69
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 2-chloro-5-[(4,4-difluoropiperidin-1-yl)methyl]pyridine?
The IUPAC name of 2-chloro-5-[(4,4-difluoropiperidin-1-yl)methyl]pyridine (CID 59525831) is 2-chloro-5-[(4,4-difluoropiperidin-1-yl)methyl]pyridine.
What is the SMILES notation for 2-chloro-5-[(4,4-difluoropiperidin-1-yl)methyl]pyridine?
The canonical SMILES for 2-chloro-5-[(4,4-difluoropiperidin-1-yl)methyl]pyridine is FC1(F)CCN(Cc2ccc(Cl)nc2)CC1.
What is the InChIKey of 2-chloro-5-[(4,4-difluoropiperidin-1-yl)methyl]pyridine?
The InChIKey is HMIJOXHNCGGLLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClF2N2/c12-10-2-1-9(7-15-10)8-16-5-3-11(13,14)4-6-16/h1-2,7H,3-6,8H2.
What are the key properties of 2-chloro-5-[(4,4-difluoropiperidin-1-yl)methyl]pyridine?
2-chloro-5-[(4,4-difluoropiperidin-1-yl)methyl]pyridine has a molecular weight of 246.69 g/mol, XLogP of 2.97, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[(4,4-difluoropiperidin-1-yl)methyl]pyridine is sourced from PubChem (CID 59525831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).