3-(1-chloropropyl)-5-fluoropyridine

C8H9ClFN — CID 130480294

IUPAC3-(1-chloropropyl)-5-fluoropyridine
SMILESCCC(Cl)c1cncc(F)c1
InChIInChI=1S/C8H9ClFN/c1-2-8(9)6-3-7(10)5-11-4-6/h3-5,8H,2H2,1H3
InChIKeyZSJDXZBORCILIA-UHFFFAOYSA-N
MW173.62 g/mol
LogP2.91
Rot. Bonds2

About 3-(1-chloropropyl)-5-fluoropyridine

3-(1-chloropropyl)-5-fluoropyridine (PubChem CID 130480294) has the molecular formula C8H9ClFN and a molecular weight of 173.62 g/mol. Its IUPAC name is 3-(1-chloropropyl)-5-fluoropyridine.

Molecular Properties

Compound Name3-(1-chloropropyl)-5-fluoropyridine
PubChem CID130480294
Molecular FormulaC8H9ClFN
Molecular Weight173.62 g/mol
Exact Mass173.04
IUPAC Name3-(1-chloropropyl)-5-fluoropyridine
SMILESCCC(Cl)c1cncc(F)c1
InChIInChI=1S/C8H9ClFN/c1-2-8(9)6-3-7(10)5-11-4-6/h3-5,8H,2H2,1H3
InChIKeyZSJDXZBORCILIA-UHFFFAOYSA-N
XLogP2.91
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.62
LogP ≤ 52.91
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-fluoro-3-pyridinyl)-3-methylidenepentan-1-ol
CID 105110755
3-[chloro(nitroso)methyl]-5-fluoropyridine
CID 90937906
N-[bis(5-fluoro-3-pyridinyl)methyl]propan-1-amine
CID 105102198
2-butan-2-ylsulfanyl-1-(5-fluoro-3-pyridinyl)ethanamine
CID 65136425
1-(5-fluoro-3-pyridinyl)-2-methyl-N-propylbutan-1-amine
CID 63717242
2-(5-chloro-2-fluorophenyl)-N-ethyl-1-(5-fluoro-3-pyridinyl)ethanamine
CID 103053108
N-[1-(5-fluoro-3-pyridinyl)ethyl]-2-methylbutan-2-amine
CID 115919226
2-ethyl-1-(5-fluoro-3-pyridinyl)-2-methoxybutan-1-amine
CID 116760662
N-ethyl-3-(5-fluoro-3-pyridinyl)butan-1-amine
CID 81018534
3-fluoro-5-(1-isothiocyanatoethyl)pyridine
CID 139532133
4-chloro-1-(5-fluoro-3-pyridinyl)butan-1-ol
CID 66047072
3-fluoro-5-[(1S)-1-isothiocyanatoethyl]pyridine
CID 139548394

Frequently Asked Questions

What is the IUPAC name of 3-(1-chloropropyl)-5-fluoropyridine?
The IUPAC name of 3-(1-chloropropyl)-5-fluoropyridine (CID 130480294) is 3-(1-chloropropyl)-5-fluoropyridine.
What is the SMILES notation for 3-(1-chloropropyl)-5-fluoropyridine?
The canonical SMILES for 3-(1-chloropropyl)-5-fluoropyridine is CCC(Cl)c1cncc(F)c1.
What is the InChIKey of 3-(1-chloropropyl)-5-fluoropyridine?
The InChIKey is ZSJDXZBORCILIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClFN/c1-2-8(9)6-3-7(10)5-11-4-6/h3-5,8H,2H2,1H3.
What are the key properties of 3-(1-chloropropyl)-5-fluoropyridine?
3-(1-chloropropyl)-5-fluoropyridine has a molecular weight of 173.62 g/mol, XLogP of 2.91, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-chloropropyl)-5-fluoropyridine is sourced from PubChem (CID 130480294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).