6-chloro-4-(1-fluoroethyl)-2,3-dihydropyridine

C7H9ClFN — CID 138660458

IUPAC6-chloro-4-(1-fluoroethyl)-2,3-dihydropyridine
SMILESCC(F)C1=CC(Cl)=NCC1
InChIInChI=1S/C7H9ClFN/c1-5(9)6-2-3-10-7(8)4-6/h4-5H,2-3H2,1H3
InChIKeyKKGRWXBDXFZSBH-UHFFFAOYSA-N
MW161.61 g/mol
LogP2.31
Rot. Bonds1

About 6-chloro-4-(1-fluoroethyl)-2,3-dihydropyridine

6-chloro-4-(1-fluoroethyl)-2,3-dihydropyridine (PubChem CID 138660458) has the molecular formula C7H9ClFN and a molecular weight of 161.61 g/mol. Its IUPAC name is 6-chloro-4-(1-fluoroethyl)-2,3-dihydropyridine.

Molecular Properties

Compound Name6-chloro-4-(1-fluoroethyl)-2,3-dihydropyridine
PubChem CID138660458
Molecular FormulaC7H9ClFN
Molecular Weight161.61 g/mol
Exact Mass161.04
IUPAC Name6-chloro-4-(1-fluoroethyl)-2,3-dihydropyridine
SMILESCC(F)C1=CC(Cl)=NCC1
InChIInChI=1S/C7H9ClFN/c1-5(9)6-2-3-10-7(8)4-6/h4-5H,2-3H2,1H3
InChIKeyKKGRWXBDXFZSBH-UHFFFAOYSA-N
XLogP2.31
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.61
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-(1-fluoroethyl)-2,3-dihydropyridine?
The IUPAC name of 6-chloro-4-(1-fluoroethyl)-2,3-dihydropyridine (CID 138660458) is 6-chloro-4-(1-fluoroethyl)-2,3-dihydropyridine.
What is the SMILES notation for 6-chloro-4-(1-fluoroethyl)-2,3-dihydropyridine?
The canonical SMILES for 6-chloro-4-(1-fluoroethyl)-2,3-dihydropyridine is CC(F)C1=CC(Cl)=NCC1.
What is the InChIKey of 6-chloro-4-(1-fluoroethyl)-2,3-dihydropyridine?
The InChIKey is KKGRWXBDXFZSBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClFN/c1-5(9)6-2-3-10-7(8)4-6/h4-5H,2-3H2,1H3.
What are the key properties of 6-chloro-4-(1-fluoroethyl)-2,3-dihydropyridine?
6-chloro-4-(1-fluoroethyl)-2,3-dihydropyridine has a molecular weight of 161.61 g/mol, XLogP of 2.31, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-(1-fluoroethyl)-2,3-dihydropyridine is sourced from PubChem (CID 138660458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).