2-(4-chloroheptan-3-yl)-5-fluoropyridine

C12H17ClFN — CID 112586771

IUPAC2-(4-chloroheptan-3-yl)-5-fluoropyridine
SMILESCCCC(Cl)C(CC)c1ccc(F)cn1
InChIInChI=1S/C12H17ClFN/c1-3-5-11(13)10(4-2)12-7-6-9(14)8-15-12/h6-8,10-11H,3-5H2,1-2H3
InChIKeyBVZUDQBXTLLLAH-UHFFFAOYSA-N
MW229.73 g/mol
LogP4.12
Rot. Bonds5

About 2-(4-chloroheptan-3-yl)-5-fluoropyridine

2-(4-chloroheptan-3-yl)-5-fluoropyridine (PubChem CID 112586771) has the molecular formula C12H17ClFN and a molecular weight of 229.73 g/mol. Its IUPAC name is 2-(4-chloroheptan-3-yl)-5-fluoropyridine.

Molecular Properties

Compound Name2-(4-chloroheptan-3-yl)-5-fluoropyridine
PubChem CID112586771
Molecular FormulaC12H17ClFN
Molecular Weight229.73 g/mol
Exact Mass229.10
IUPAC Name2-(4-chloroheptan-3-yl)-5-fluoropyridine
SMILESCCCC(Cl)C(CC)c1ccc(F)cn1
InChIInChI=1S/C12H17ClFN/c1-3-5-11(13)10(4-2)12-7-6-9(14)8-15-12/h6-8,10-11H,3-5H2,1-2H3
InChIKeyBVZUDQBXTLLLAH-UHFFFAOYSA-N
XLogP4.12
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.73
LogP ≤ 54.12
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

2-(4-bromoheptan-3-yl)-5-fluoropyridine
CID 112586772
3-(5-fluoro-2-pyridinyl)heptan-4-amine
CID 112586757
N-[1-(5-fluoro-2-pyridinyl)propyl]-1-phenylbutan-1-amine
CID 115938566
1-(5-fluoro-2-pyridinyl)tridecan-1-amine
CID 79705681
2-[1-(5-fluoro-2-pyridinyl)propylamino]pentanoic acid
CID 112586667
1-(5-fluoro-2-pyridinyl)-N-methyldecan-1-amine
CID 79712241
2-(5-fluoro-2-pyridinyl)-N-propylpropan-1-amine
CID 83129735
5-fluoro-2-methylpyridine;4-methylheptane
CID 144860351
N-[1-(5-fluoro-2-pyridinyl)ethyl]-2-methylbutan-1-amine
CID 83120285
N,3-diethyl-1-(5-fluoro-2-pyridinyl)heptan-1-amine
CID 79712767
1-[1-(5-fluoro-2-pyridinyl)propyl]pyrrolidine-3-carboxylic acid
CID 112586688
(3R)-3-[1-(5-fluoro-2-pyridinyl)propylamino]butan-1-ol
CID 103948862

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloroheptan-3-yl)-5-fluoropyridine?
The IUPAC name of 2-(4-chloroheptan-3-yl)-5-fluoropyridine (CID 112586771) is 2-(4-chloroheptan-3-yl)-5-fluoropyridine.
What is the SMILES notation for 2-(4-chloroheptan-3-yl)-5-fluoropyridine?
The canonical SMILES for 2-(4-chloroheptan-3-yl)-5-fluoropyridine is CCCC(Cl)C(CC)c1ccc(F)cn1.
What is the InChIKey of 2-(4-chloroheptan-3-yl)-5-fluoropyridine?
The InChIKey is BVZUDQBXTLLLAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClFN/c1-3-5-11(13)10(4-2)12-7-6-9(14)8-15-12/h6-8,10-11H,3-5H2,1-2H3.
What are the key properties of 2-(4-chloroheptan-3-yl)-5-fluoropyridine?
2-(4-chloroheptan-3-yl)-5-fluoropyridine has a molecular weight of 229.73 g/mol, XLogP of 4.12, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloroheptan-3-yl)-5-fluoropyridine is sourced from PubChem (CID 112586771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).