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

C5H5ClFN — CID 163500117

IUPAC6-chloro-3-fluoro-3,4-dihydropyridine
SMILESFC1C=NC(Cl)=CC1
InChIInChI=1S/C5H5ClFN/c6-5-2-1-4(7)3-8-5/h2-4H,1H2
InChIKeyCUACATKYHRWPGQ-UHFFFAOYSA-N
MW133.55 g/mol
LogP1.88
Rot. Bonds

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

6-chloro-3-fluoro-3,4-dihydropyridine (PubChem CID 163500117) has the molecular formula C5H5ClFN and a molecular weight of 133.55 g/mol. Its IUPAC name is 6-chloro-3-fluoro-3,4-dihydropyridine.

Molecular Properties

Compound Name6-chloro-3-fluoro-3,4-dihydropyridine
PubChem CID163500117
Molecular FormulaC5H5ClFN
Molecular Weight133.55 g/mol
Exact Mass133.01
IUPAC Name6-chloro-3-fluoro-3,4-dihydropyridine
SMILESFC1C=NC(Cl)=CC1
InChIInChI=1S/C5H5ClFN/c6-5-2-1-4(7)3-8-5/h2-4H,1H2
InChIKeyCUACATKYHRWPGQ-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': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

6-Fluoro-3,4-dihydropyridine
CID 67779683
3-chloro-3,6-difluoro-4H-pyridine
CID 69910113
3,6-dichloro-3-fluoro-4H-pyridine
CID 90134257
N-(3-fluoro-3,4-dihydropyridin-6-yl)methanimine
CID 91428814
6-Chloro-5-fluoro-3,4-dihydropyridine
CID 144269711
3,6-Difluoro-3,4-dihydropyridine
CID 156184120
4,6-dichloro-4-(trifluoromethyl)-3H-pyridine
CID 172783458
6-Chloro-3,4-dihydropyridine
CID 53812131
5-chloro-3H-pyrrole
CID 158843664

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-fluoro-3,4-dihydropyridine?
The IUPAC name of 6-chloro-3-fluoro-3,4-dihydropyridine (CID 163500117) is 6-chloro-3-fluoro-3,4-dihydropyridine.
What is the SMILES notation for 6-chloro-3-fluoro-3,4-dihydropyridine?
The canonical SMILES for 6-chloro-3-fluoro-3,4-dihydropyridine is FC1C=NC(Cl)=CC1.
What is the InChIKey of 6-chloro-3-fluoro-3,4-dihydropyridine?
The InChIKey is CUACATKYHRWPGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5ClFN/c6-5-2-1-4(7)3-8-5/h2-4H,1H2.
What are the key properties of 6-chloro-3-fluoro-3,4-dihydropyridine?
6-chloro-3-fluoro-3,4-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-3-fluoro-3,4-dihydropyridine is sourced from PubChem (CID 163500117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).