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

C5H5BrClN — CID 19045902

IUPAC4-bromo-5-chloro-1,2-dihydropyridine
SMILESClC1=CNCC=C1Br
InChIInChI=1S/C5H5BrClN/c6-4-1-2-8-3-5(4)7/h1,3,8H,2H2
InChIKeyKGPNHSIFJOYTNI-UHFFFAOYSA-N
MW194.46 g/mol
LogP1.95
Rot. Bonds

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

4-bromo-5-chloro-1,2-dihydropyridine (PubChem CID 19045902) has the molecular formula C5H5BrClN and a molecular weight of 194.46 g/mol. Its IUPAC name is 4-bromo-5-chloro-1,2-dihydropyridine.

Molecular Properties

Compound Name4-bromo-5-chloro-1,2-dihydropyridine
PubChem CID19045902
Molecular FormulaC5H5BrClN
Molecular Weight194.46 g/mol
Exact Mass192.93
IUPAC Name4-bromo-5-chloro-1,2-dihydropyridine
SMILESClC1=CNCC=C1Br
InChIInChI=1S/C5H5BrClN/c6-4-1-2-8-3-5(4)7/h1,3,8H,2H2
InChIKeyKGPNHSIFJOYTNI-UHFFFAOYSA-N
XLogP1.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.46
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-chloro-1,2-dihydropyridine?
The IUPAC name of 4-bromo-5-chloro-1,2-dihydropyridine (CID 19045902) is 4-bromo-5-chloro-1,2-dihydropyridine.
What is the SMILES notation for 4-bromo-5-chloro-1,2-dihydropyridine?
The canonical SMILES for 4-bromo-5-chloro-1,2-dihydropyridine is ClC1=CNCC=C1Br.
What is the InChIKey of 4-bromo-5-chloro-1,2-dihydropyridine?
The InChIKey is KGPNHSIFJOYTNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5BrClN/c6-4-1-2-8-3-5(4)7/h1,3,8H,2H2.
What are the key properties of 4-bromo-5-chloro-1,2-dihydropyridine?
4-bromo-5-chloro-1,2-dihydropyridine has a molecular weight of 194.46 g/mol, XLogP of 1.95, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-chloro-1,2-dihydropyridine is sourced from PubChem (CID 19045902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).