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

C5H5ClFN — CID 154964853

IUPAC4-chloro-5-fluoro-1,2-dihydropyridine
SMILESFC1=CNCC=C1Cl
InChIInChI=1S/C5H5ClFN/c6-4-1-2-8-3-5(4)7/h1,3,8H,2H2
InChIKeyADPQFEPOIUGMGI-UHFFFAOYSA-N
MW133.55 g/mol
LogP1.52
Rot. Bonds

About 4-chloro-5-fluoro-1,2-dihydropyridine

4-chloro-5-fluoro-1,2-dihydropyridine (PubChem CID 154964853) has the molecular formula C5H5ClFN and a molecular weight of 133.55 g/mol. Its IUPAC name is 4-chloro-5-fluoro-1,2-dihydropyridine.

Molecular Properties

Compound Name4-chloro-5-fluoro-1,2-dihydropyridine
PubChem CID154964853
Molecular FormulaC5H5ClFN
Molecular Weight133.55 g/mol
Exact Mass133.01
IUPAC Name4-chloro-5-fluoro-1,2-dihydropyridine
SMILESFC1=CNCC=C1Cl
InChIInChI=1S/C5H5ClFN/c6-4-1-2-8-3-5(4)7/h1,3,8H,2H2
InChIKeyADPQFEPOIUGMGI-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

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Related Compounds

2-Fluoro-2-chloropyridine
CID 67167547
5-Chlorodihydropyridine
CID 424920
5-Fluoro-1,2-dihydropyridine
CID 19045900
4-Chloro-2-fluoro-1,2-dihydropyridine
CID 23181753
5-Fluoro-1,2-dihydropyridin-1-ium
CID 54269710
6-Chloro-5-fluoro-1,2-dihydropyridine
CID 90332464
2-chloro-5-fluoro-1H-pyridin-2-amine
CID 153951056
5-Chloro-4-fluoro-1,2-dihydropyridin-2-amine
CID 166961880
2-Chloro-4-fluoro-1,2-dihydropyridine
CID 171537305
6-Chloro-3-fluoro-1,2-dihydropyridine
CID 173050584
3-Chloro-2-fluoro-1,2-dihydropyridine
CID 173106133
5-Chloro-2-fluoro-1,2-dihydropyridine
CID 173534185

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-fluoro-1,2-dihydropyridine?
The IUPAC name of 4-chloro-5-fluoro-1,2-dihydropyridine (CID 154964853) is 4-chloro-5-fluoro-1,2-dihydropyridine.
What is the SMILES notation for 4-chloro-5-fluoro-1,2-dihydropyridine?
The canonical SMILES for 4-chloro-5-fluoro-1,2-dihydropyridine is FC1=CNCC=C1Cl.
What is the InChIKey of 4-chloro-5-fluoro-1,2-dihydropyridine?
The InChIKey is ADPQFEPOIUGMGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5ClFN/c6-4-1-2-8-3-5(4)7/h1,3,8H,2H2.
What are the key properties of 4-chloro-5-fluoro-1,2-dihydropyridine?
4-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 4-chloro-5-fluoro-1,2-dihydropyridine is sourced from PubChem (CID 154964853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).