6-chloro-4-fluoro-2,3-dihydropyridine

C5H5ClFN — CID 126592534

IUPAC6-chloro-4-fluoro-2,3-dihydropyridine
SMILESFC1=CC(Cl)=NCC1
InChIInChI=1S/C5H5ClFN/c6-5-3-4(7)1-2-8-5/h3H,1-2H2
InChIKeyQDTUPXRTXFUIKK-UHFFFAOYSA-N
MW133.55 g/mol
LogP1.88
Rot. Bonds

About 6-chloro-4-fluoro-2,3-dihydropyridine

6-chloro-4-fluoro-2,3-dihydropyridine (PubChem CID 126592534) has the molecular formula C5H5ClFN and a molecular weight of 133.55 g/mol. Its IUPAC name is 6-chloro-4-fluoro-2,3-dihydropyridine.

Molecular Properties

Compound Name6-chloro-4-fluoro-2,3-dihydropyridine
PubChem CID126592534
Molecular FormulaC5H5ClFN
Molecular Weight133.55 g/mol
Exact Mass133.01
IUPAC Name6-chloro-4-fluoro-2,3-dihydropyridine
SMILESFC1=CC(Cl)=NCC1
InChIInChI=1S/C5H5ClFN/c6-5-3-4(7)1-2-8-5/h3H,1-2H2
InChIKeyQDTUPXRTXFUIKK-UHFFFAOYSA-N
XLogP1.88
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 ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-fluoro-2,3-dihydropyridine?
The IUPAC name of 6-chloro-4-fluoro-2,3-dihydropyridine (CID 126592534) is 6-chloro-4-fluoro-2,3-dihydropyridine.
What is the SMILES notation for 6-chloro-4-fluoro-2,3-dihydropyridine?
The canonical SMILES for 6-chloro-4-fluoro-2,3-dihydropyridine is FC1=CC(Cl)=NCC1.
What is the InChIKey of 6-chloro-4-fluoro-2,3-dihydropyridine?
The InChIKey is QDTUPXRTXFUIKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5ClFN/c6-5-3-4(7)1-2-8-5/h3H,1-2H2.
What are the key properties of 6-chloro-4-fluoro-2,3-dihydropyridine?
6-chloro-4-fluoro-2,3-dihydropyridine has a molecular weight of 133.55 g/mol, XLogP of 1.88, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-fluoro-2,3-dihydropyridine is sourced from PubChem (CID 126592534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).