3-(5-chloropent-2-en-2-yl)-5-fluoropyridine

C10H11ClFN — CID 79603957

IUPAC3-(5-chloropent-2-en-2-yl)-5-fluoropyridine
SMILESCC(=CCCCl)c1cncc(F)c1
InChIInChI=1S/C10H11ClFN/c1-8(3-2-4-11)9-5-10(12)7-13-6-9/h3,5-7H,2,4H2,1H3
InChIKeyAYWJFFVMAXUTHQ-UHFFFAOYSA-N
MW199.66 g/mol
LogP3.25
Rot. Bonds3

About 3-(5-chloropent-2-en-2-yl)-5-fluoropyridine

3-(5-chloropent-2-en-2-yl)-5-fluoropyridine (PubChem CID 79603957) has the molecular formula C10H11ClFN and a molecular weight of 199.66 g/mol. Its IUPAC name is 3-(5-chloropent-2-en-2-yl)-5-fluoropyridine.

Molecular Properties

Compound Name3-(5-chloropent-2-en-2-yl)-5-fluoropyridine
PubChem CID79603957
Molecular FormulaC10H11ClFN
Molecular Weight199.66 g/mol
Exact Mass199.06
IUPAC Name3-(5-chloropent-2-en-2-yl)-5-fluoropyridine
SMILESCC(=CCCCl)c1cncc(F)c1
InChIInChI=1S/C10H11ClFN/c1-8(3-2-4-11)9-5-10(12)7-13-6-9/h3,5-7H,2,4H2,1H3
InChIKeyAYWJFFVMAXUTHQ-UHFFFAOYSA-N
XLogP3.25
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.66
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(5-chloropent-2-en-2-yl)-3,5-dimethylbenzene
CID 79019956
2-chloro-1-(5-fluoro-3-pyridinyl)ethanone
CID 104786801
1-(5-chloropent-2-en-2-yl)-3-methylbenzene
CID 79002012
4-chloro-1-(5-fluoro-3-pyridinyl)butan-1-one
CID 66046590
1-(5-fluoro-3-pyridinyl)-3-methylbut-2-en-1-one
CID 105112750
1-(5-fluoro-3-pyridinyl)-3-methylbut-3-en-1-one
CID 105112516
1-(5-chloropent-2-en-2-yl)-3-(trifluoromethoxy)benzene
CID 79593116
(Z)-2-ethyl-1-(5-fluoro-3-pyridinyl)but-2-en-1-one
CID 103447512
4-(5-ethoxy-3-pyridinyl)pent-3-en-1-amine
CID 57143543
2-ethyl-1-(5-fluoro-3-pyridinyl)butan-1-one
CID 114963530
1-[(Z)-5-chloropent-2-en-2-yl]-2,3-difluoro-4-methylbenzene
CID 107514672
1-(5-bromopent-2-en-2-yl)-3-fluoro-5-methylbenzene
CID 79705342

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloropent-2-en-2-yl)-5-fluoropyridine?
The IUPAC name of 3-(5-chloropent-2-en-2-yl)-5-fluoropyridine (CID 79603957) is 3-(5-chloropent-2-en-2-yl)-5-fluoropyridine.
What is the SMILES notation for 3-(5-chloropent-2-en-2-yl)-5-fluoropyridine?
The canonical SMILES for 3-(5-chloropent-2-en-2-yl)-5-fluoropyridine is CC(=CCCCl)c1cncc(F)c1.
What is the InChIKey of 3-(5-chloropent-2-en-2-yl)-5-fluoropyridine?
The InChIKey is AYWJFFVMAXUTHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClFN/c1-8(3-2-4-11)9-5-10(12)7-13-6-9/h3,5-7H,2,4H2,1H3.
What are the key properties of 3-(5-chloropent-2-en-2-yl)-5-fluoropyridine?
3-(5-chloropent-2-en-2-yl)-5-fluoropyridine has a molecular weight of 199.66 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloropent-2-en-2-yl)-5-fluoropyridine is sourced from PubChem (CID 79603957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).