6-chloro-5-fluoro-1,2-dihydropyridine

C5H5ClFN — CID 90332464

IUPAC6-chloro-5-fluoro-1,2-dihydropyridine
SMILESFC1=C(Cl)NCC=C1
InChIInChI=1S/C5H5ClFN/c6-5-4(7)2-1-3-8-5/h1-2,8H,3H2
InChIKeyKIWYZTLPKSOFSW-UHFFFAOYSA-N
MW133.55 g/mol
LogP1.52
Rot. Bonds

About 6-chloro-5-fluoro-1,2-dihydropyridine

6-chloro-5-fluoro-1,2-dihydropyridine (PubChem CID 90332464) has the molecular formula C5H5ClFN and a molecular weight of 133.55 g/mol. Its IUPAC name is 6-chloro-5-fluoro-1,2-dihydropyridine.

Molecular Properties

Compound Name6-chloro-5-fluoro-1,2-dihydropyridine
PubChem CID90332464
Molecular FormulaC5H5ClFN
Molecular Weight133.55 g/mol
Exact Mass133.01
IUPAC Name6-chloro-5-fluoro-1,2-dihydropyridine
SMILESFC1=C(Cl)NCC=C1
InChIInChI=1S/C5H5ClFN/c6-5-4(7)2-1-3-8-5/h1-2,8H,3H2
InChIKeyKIWYZTLPKSOFSW-UHFFFAOYSA-N
XLogP1.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.55
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-fluoro-1,2-dihydropyridine?
The IUPAC name of 6-chloro-5-fluoro-1,2-dihydropyridine (CID 90332464) is 6-chloro-5-fluoro-1,2-dihydropyridine.
What is the SMILES notation for 6-chloro-5-fluoro-1,2-dihydropyridine?
The canonical SMILES for 6-chloro-5-fluoro-1,2-dihydropyridine is FC1=C(Cl)NCC=C1.
What is the InChIKey of 6-chloro-5-fluoro-1,2-dihydropyridine?
The InChIKey is KIWYZTLPKSOFSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5ClFN/c6-5-4(7)2-1-3-8-5/h1-2,8H,3H2.
What are the key properties of 6-chloro-5-fluoro-1,2-dihydropyridine?
6-chloro-5-fluoro-1,2-dihydropyridine has a molecular weight of 133.55 g/mol, XLogP of 1.52, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-fluoro-1,2-dihydropyridine is sourced from PubChem (CID 90332464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).