4-chloro-6-[(Z)-1-fluorobut-1-enyl]-5-methyl-2-propyl-2,3-dihydropyridine

C13H19ClFN — CID 123887397

IUPAC4-chloro-6-[(Z)-1-fluorobut-1-enyl]-5-methyl-2-propyl-2,3-dihydropyridine
SMILESCC/C=C(\F)C1=NC(CCC)CC(Cl)=C1C
InChIInChI=1S/C13H19ClFN/c1-4-6-10-8-11(14)9(3)13(16-10)12(15)7-5-2/h7,10H,4-6,8H2,1-3H3/b12-7-
InChIKeyUNRPYEWIEWPILY-GHXNOFRVSA-N
MW243.75 g/mol
LogP4.78
Rot. Bonds4

About 4-chloro-6-[(Z)-1-fluorobut-1-enyl]-5-methyl-2-propyl-2,3-dihydropyridine

4-chloro-6-[(Z)-1-fluorobut-1-enyl]-5-methyl-2-propyl-2,3-dihydropyridine (PubChem CID 123887397) has the molecular formula C13H19ClFN and a molecular weight of 243.75 g/mol. Its IUPAC name is 4-chloro-6-[(Z)-1-fluorobut-1-enyl]-5-methyl-2-propyl-2,3-dihydropyridine.

Molecular Properties

Compound Name4-chloro-6-[(Z)-1-fluorobut-1-enyl]-5-methyl-2-propyl-2,3-dihydropyridine
PubChem CID123887397
Molecular FormulaC13H19ClFN
Molecular Weight243.75 g/mol
Exact Mass243.12
IUPAC Name4-chloro-6-[(Z)-1-fluorobut-1-enyl]-5-methyl-2-propyl-2,3-dihydropyridine
SMILESCC/C=C(\F)C1=NC(CCC)CC(Cl)=C1C
InChIInChI=1S/C13H19ClFN/c1-4-6-10-8-11(14)9(3)13(16-10)12(15)7-5-2/h7,10H,4-6,8H2,1-3H3/b12-7-
InChIKeyUNRPYEWIEWPILY-GHXNOFRVSA-N
XLogP4.78
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.75
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-[(Z)-1-fluorobut-1-enyl]-5-methyl-2-propyl-2,3-dihydropyridine?
The IUPAC name of 4-chloro-6-[(Z)-1-fluorobut-1-enyl]-5-methyl-2-propyl-2,3-dihydropyridine (CID 123887397) is 4-chloro-6-[(Z)-1-fluorobut-1-enyl]-5-methyl-2-propyl-2,3-dihydropyridine.
What is the SMILES notation for 4-chloro-6-[(Z)-1-fluorobut-1-enyl]-5-methyl-2-propyl-2,3-dihydropyridine?
The canonical SMILES for 4-chloro-6-[(Z)-1-fluorobut-1-enyl]-5-methyl-2-propyl-2,3-dihydropyridine is CC/C=C(\F)C1=NC(CCC)CC(Cl)=C1C.
What is the InChIKey of 4-chloro-6-[(Z)-1-fluorobut-1-enyl]-5-methyl-2-propyl-2,3-dihydropyridine?
The InChIKey is UNRPYEWIEWPILY-GHXNOFRVSA-N. The full InChI is InChI=1S/C13H19ClFN/c1-4-6-10-8-11(14)9(3)13(16-10)12(15)7-5-2/h7,10H,4-6,8H2,1-3H3/b12-7-.
What are the key properties of 4-chloro-6-[(Z)-1-fluorobut-1-enyl]-5-methyl-2-propyl-2,3-dihydropyridine?
4-chloro-6-[(Z)-1-fluorobut-1-enyl]-5-methyl-2-propyl-2,3-dihydropyridine has a molecular weight of 243.75 g/mol, XLogP of 4.78, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-[(Z)-1-fluorobut-1-enyl]-5-methyl-2-propyl-2,3-dihydropyridine is sourced from PubChem (CID 123887397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).