6-chloro-5-fluoro-2,5-dihydropyridine

C5H5ClFN — CID 123494833

IUPAC6-chloro-5-fluoro-2,5-dihydropyridine
SMILESFC1C=CCN=C1Cl
InChIInChI=1S/C5H5ClFN/c6-5-4(7)2-1-3-8-5/h1-2,4H,3H2
InChIKeyHXXMPYTTZMEETM-UHFFFAOYSA-N
MW133.55 g/mol
LogP1.53
Rot. Bonds

About 6-chloro-5-fluoro-2,5-dihydropyridine

6-chloro-5-fluoro-2,5-dihydropyridine (PubChem CID 123494833) has the molecular formula C5H5ClFN and a molecular weight of 133.55 g/mol. Its IUPAC name is 6-chloro-5-fluoro-2,5-dihydropyridine.

Molecular Properties

Compound Name6-chloro-5-fluoro-2,5-dihydropyridine
PubChem CID123494833
Molecular FormulaC5H5ClFN
Molecular Weight133.55 g/mol
Exact Mass133.01
IUPAC Name6-chloro-5-fluoro-2,5-dihydropyridine
SMILESFC1C=CCN=C1Cl
InChIInChI=1S/C5H5ClFN/c6-5-4(7)2-1-3-8-5/h1-2,4H,3H2
InChIKeyHXXMPYTTZMEETM-UHFFFAOYSA-N
XLogP1.53
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.55
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

5-chloro-2,5-difluoro-2H-pyridine
CID 69910111
6-Chloro-3-(trifluoromethyl)-2,5-dihydropyridine
CID 123939377
6-Chloro-4-fluoro-2,3-dihydropyridine
CID 126592534
5-chloro-5-fluoro-2H-pyridine
CID 173779893
4-Chloro-2,5-dihydropyridine
CID 57314466
2,6-Dichloro-2,5-dihydropyridine
CID 91378461

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-fluoro-2,5-dihydropyridine?
The IUPAC name of 6-chloro-5-fluoro-2,5-dihydropyridine (CID 123494833) is 6-chloro-5-fluoro-2,5-dihydropyridine.
What is the SMILES notation for 6-chloro-5-fluoro-2,5-dihydropyridine?
The canonical SMILES for 6-chloro-5-fluoro-2,5-dihydropyridine is FC1C=CCN=C1Cl.
What is the InChIKey of 6-chloro-5-fluoro-2,5-dihydropyridine?
The InChIKey is HXXMPYTTZMEETM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5ClFN/c6-5-4(7)2-1-3-8-5/h1-2,4H,3H2.
What are the key properties of 6-chloro-5-fluoro-2,5-dihydropyridine?
6-chloro-5-fluoro-2,5-dihydropyridine has a molecular weight of 133.55 g/mol, XLogP of 1.53, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-fluoro-2,5-dihydropyridine is sourced from PubChem (CID 123494833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).