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

C5H5ClFN — CID 163517981

IUPAC2-chloro-4-fluoro-2,3-dihydropyridine
SMILESFC1=CC=NC(Cl)C1
InChIInChI=1S/C5H5ClFN/c6-5-3-4(7)1-2-8-5/h1-2,5H,3H2
InChIKeyDIJTVIXCQNHKRA-UHFFFAOYSA-N
MW133.55 g/mol
LogP1.88
Rot. Bonds

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

2-chloro-4-fluoro-2,3-dihydropyridine (PubChem CID 163517981) has the molecular formula C5H5ClFN and a molecular weight of 133.55 g/mol. Its IUPAC name is 2-chloro-4-fluoro-2,3-dihydropyridine.

Molecular Properties

Compound Name2-chloro-4-fluoro-2,3-dihydropyridine
PubChem CID163517981
Molecular FormulaC5H5ClFN
Molecular Weight133.55 g/mol
Exact Mass133.01
IUPAC Name2-chloro-4-fluoro-2,3-dihydropyridine
SMILESFC1=CC=NC(Cl)C1
InChIInChI=1S/C5H5ClFN/c6-5-3-4(7)1-2-8-5/h1-2,5H,3H2
InChIKeyDIJTVIXCQNHKRA-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

Computed Properties (RDKit)

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

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Related Compounds

2,3-dichloro-3-(trifluoromethyl)-2H-pyridine
CID 70348900
2,3-dichloro-3-fluoro-2H-pyridine
CID 70385026
2-Chloro-3-fluoro-5-methyl-2,3-dihydropyridine
CID 89289661
6-Chloro-4-fluoro-2,3-dihydropyridine
CID 126592534
2,3-dichloro-3-(fluoromethyl)-2H-pyridine
CID 141739964
3-chloro-3,5-difluoro-2H-pyridine
CID 71302934
(3S)-3-chloro-3,5-difluoro-2H-pyridine
CID 97114945
(3R)-3-chloro-3,5-difluoro-2H-pyridine
CID 97114946
2-Chloro-4-(trifluoromethyl)-2,3-dihydropyridine
CID 158640110
3-Chloro-2,3-dihydropyridine
CID 20183270
2-Chloro-2,3-dihydropyridine
CID 54042964
4-chloro-3H-pyridin-1-ium
CID 57247625

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-fluoro-2,3-dihydropyridine?
The IUPAC name of 2-chloro-4-fluoro-2,3-dihydropyridine (CID 163517981) is 2-chloro-4-fluoro-2,3-dihydropyridine.
What is the SMILES notation for 2-chloro-4-fluoro-2,3-dihydropyridine?
The canonical SMILES for 2-chloro-4-fluoro-2,3-dihydropyridine is FC1=CC=NC(Cl)C1.
What is the InChIKey of 2-chloro-4-fluoro-2,3-dihydropyridine?
The InChIKey is DIJTVIXCQNHKRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5ClFN/c6-5-3-4(7)1-2-8-5/h1-2,5H,3H2.
What are the key properties of 2-chloro-4-fluoro-2,3-dihydropyridine?
2-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 2-chloro-4-fluoro-2,3-dihydropyridine is sourced from PubChem (CID 163517981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).