3,3-difluoro-2H-pyridine;hydrochloride

C5H6ClF2N — CID 90015073

IUPAC3,3-difluoro-2H-pyridine;hydrochloride
SMILESCl.FC1(F)C=CC=NC1
InChIInChI=1S/C5H5F2N.ClH/c6-5(7)2-1-3-8-4-5;/h1-3H,4H2;1H
InChIKeyUODDUHPAVJZNBO-UHFFFAOYSA-N
MW153.56 g/mol
LogP1.68
Rot. Bonds

About 3,3-difluoro-2H-pyridine;hydrochloride

3,3-difluoro-2H-pyridine;hydrochloride (PubChem CID 90015073) has the molecular formula C5H6ClF2N and a molecular weight of 153.56 g/mol. Its IUPAC name is 3,3-difluoro-2H-pyridine;hydrochloride.

Molecular Properties

Compound Name3,3-difluoro-2H-pyridine;hydrochloride
PubChem CID90015073
Molecular FormulaC5H6ClF2N
Molecular Weight153.56 g/mol
Exact Mass153.02
IUPAC Name3,3-difluoro-2H-pyridine;hydrochloride
SMILESCl.FC1(F)C=CC=NC1
InChIInChI=1S/C5H5F2N.ClH/c6-5(7)2-1-3-8-4-5;/h1-3H,4H2;1H
InChIKeyUODDUHPAVJZNBO-UHFFFAOYSA-N
XLogP1.68
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.56
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3,3-difluoro-2H-pyridine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-2H-pyridine;hydrochloride?
The IUPAC name of 3,3-difluoro-2H-pyridine;hydrochloride (CID 90015073) is 3,3-difluoro-2H-pyridine;hydrochloride.
What is the SMILES notation for 3,3-difluoro-2H-pyridine;hydrochloride?
The canonical SMILES for 3,3-difluoro-2H-pyridine;hydrochloride is Cl.FC1(F)C=CC=NC1.
What is the InChIKey of 3,3-difluoro-2H-pyridine;hydrochloride?
The InChIKey is UODDUHPAVJZNBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F2N.ClH/c6-5(7)2-1-3-8-4-5;/h1-3H,4H2;1H.
What are the key properties of 3,3-difluoro-2H-pyridine;hydrochloride?
3,3-difluoro-2H-pyridine;hydrochloride has a molecular weight of 153.56 g/mol, XLogP of 1.68, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-2H-pyridine;hydrochloride is sourced from PubChem (CID 90015073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).