4,4-difluoro-3H-pyridine;hydrochloride

C5H6ClF2N — CID 156900243

IUPAC4,4-difluoro-3H-pyridine;hydrochloride
SMILESCl.FC1(F)C=CN=CC1
InChIInChI=1S/C5H5F2N.ClH/c6-5(7)1-3-8-4-2-5;/h1,3-4H,2H2;1H
InChIKeyLSAYLMWKFNLNKD-UHFFFAOYSA-N
MW153.56 g/mol
LogP2.03
Rot. Bonds

About 4,4-difluoro-3H-pyridine;hydrochloride

4,4-difluoro-3H-pyridine;hydrochloride (PubChem CID 156900243) has the molecular formula C5H6ClF2N and a molecular weight of 153.56 g/mol. Its IUPAC name is 4,4-difluoro-3H-pyridine;hydrochloride.

Molecular Properties

Compound Name4,4-difluoro-3H-pyridine;hydrochloride
PubChem CID156900243
Molecular FormulaC5H6ClF2N
Molecular Weight153.56 g/mol
Exact Mass153.02
IUPAC Name4,4-difluoro-3H-pyridine;hydrochloride
SMILESCl.FC1(F)C=CN=CC1
InChIInChI=1S/C5H5F2N.ClH/c6-5(7)1-3-8-4-2-5;/h1,3-4H,2H2;1H
InChIKeyLSAYLMWKFNLNKD-UHFFFAOYSA-N
XLogP2.03
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 ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

6-Fluoro-3,4-dihydropyridine
CID 67779683
3,3-Difluoropyrrole;hydrochloride
CID 139329885
3-Fluoro-3,4-dihydropyridine
CID 143973155
2,4-Difluoro-3,4-dihydropyridine
CID 144175289
3,3-difluoro-4H-pyridine
CID 150230117
4-Fluoro-3,4-dihydropyridine
CID 150793545
4,4-difluoro-3H-pyridine
CID 151381146
3,6-Difluoro-3,4-dihydropyridine
CID 156184120
3,3,3-trifluoro-N-[(Z)-pent-1-enyl]propan-1-imine
CID 169603580
N-[(Z)-but-1-enyl]-3,3,3-trifluoropropan-1-imine
CID 143103163
3-chloro-4,4-difluoro-3H-pyridine
CID 151559594

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-3H-pyridine;hydrochloride?
The IUPAC name of 4,4-difluoro-3H-pyridine;hydrochloride (CID 156900243) is 4,4-difluoro-3H-pyridine;hydrochloride.
What is the SMILES notation for 4,4-difluoro-3H-pyridine;hydrochloride?
The canonical SMILES for 4,4-difluoro-3H-pyridine;hydrochloride is Cl.FC1(F)C=CN=CC1.
What is the InChIKey of 4,4-difluoro-3H-pyridine;hydrochloride?
The InChIKey is LSAYLMWKFNLNKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F2N.ClH/c6-5(7)1-3-8-4-2-5;/h1,3-4H,2H2;1H.
What are the key properties of 4,4-difluoro-3H-pyridine;hydrochloride?
4,4-difluoro-3H-pyridine;hydrochloride has a molecular weight of 153.56 g/mol, XLogP of 2.03, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-3H-pyridine;hydrochloride is sourced from PubChem (CID 156900243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).