4-chloro-2-fluoro-1,2-dihydropyridine

C5H5ClFN — CID 23181753

IUPAC4-chloro-2-fluoro-1,2-dihydropyridine
SMILESFC1C=C(Cl)C=CN1
InChIInChI=1S/C5H5ClFN/c6-4-1-2-8-5(7)3-4/h1-3,5,8H
InChIKeyKKHVSWDMFIJBPO-UHFFFAOYSA-N
MW133.55 g/mol
LogP1.52
Rot. Bonds

About 4-chloro-2-fluoro-1,2-dihydropyridine

4-chloro-2-fluoro-1,2-dihydropyridine (PubChem CID 23181753) has the molecular formula C5H5ClFN and a molecular weight of 133.55 g/mol. Its IUPAC name is 4-chloro-2-fluoro-1,2-dihydropyridine.

Molecular Properties

Compound Name4-chloro-2-fluoro-1,2-dihydropyridine
PubChem CID23181753
Molecular FormulaC5H5ClFN
Molecular Weight133.55 g/mol
Exact Mass133.01
IUPAC Name4-chloro-2-fluoro-1,2-dihydropyridine
SMILESFC1C=C(Cl)C=CN1
InChIInChI=1S/C5H5ClFN/c6-4-1-2-8-5(7)3-4/h1-3,5,8H
InChIKeyKKHVSWDMFIJBPO-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 4-chloro-2-fluoro-1,2-dihydropyridine?
The IUPAC name of 4-chloro-2-fluoro-1,2-dihydropyridine (CID 23181753) is 4-chloro-2-fluoro-1,2-dihydropyridine.
What is the SMILES notation for 4-chloro-2-fluoro-1,2-dihydropyridine?
The canonical SMILES for 4-chloro-2-fluoro-1,2-dihydropyridine is FC1C=C(Cl)C=CN1.
What is the InChIKey of 4-chloro-2-fluoro-1,2-dihydropyridine?
The InChIKey is KKHVSWDMFIJBPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5ClFN/c6-4-1-2-8-5(7)3-4/h1-3,5,8H.
What are the key properties of 4-chloro-2-fluoro-1,2-dihydropyridine?
4-chloro-2-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 4-chloro-2-fluoro-1,2-dihydropyridine is sourced from PubChem (CID 23181753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).