3-(3-chlorocyclohexyl)-5-fluoropyridine

C11H13ClFN — CID 64514703

IUPAC3-(3-chlorocyclohexyl)-5-fluoropyridine
SMILESFc1cncc(C2CCCC(Cl)C2)c1
InChIInChI=1S/C11H13ClFN/c12-10-3-1-2-8(4-10)9-5-11(13)7-14-6-9/h5-8,10H,1-4H2
InChIKeyMCIMXXGZYRABEE-UHFFFAOYSA-N
MW213.68 g/mol
LogP3.49
Rot. Bonds1

About 3-(3-chlorocyclohexyl)-5-fluoropyridine

3-(3-chlorocyclohexyl)-5-fluoropyridine (PubChem CID 64514703) has the molecular formula C11H13ClFN and a molecular weight of 213.68 g/mol. Its IUPAC name is 3-(3-chlorocyclohexyl)-5-fluoropyridine.

Molecular Properties

Compound Name3-(3-chlorocyclohexyl)-5-fluoropyridine
PubChem CID64514703
Molecular FormulaC11H13ClFN
Molecular Weight213.68 g/mol
Exact Mass213.07
IUPAC Name3-(3-chlorocyclohexyl)-5-fluoropyridine
SMILESFc1cncc(C2CCCC(Cl)C2)c1
InChIInChI=1S/C11H13ClFN/c12-10-3-1-2-8(4-10)9-5-11(13)7-14-6-9/h5-8,10H,1-4H2
InChIKeyMCIMXXGZYRABEE-UHFFFAOYSA-N
XLogP3.49
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.68
LogP ≤ 53.49
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

3-(5-fluoro-3-pyridinyl)cyclohexan-1-ol
CID 64513217
1-chloro-3-(2,4-difluorophenyl)cycloheptane
CID 64509762
3-(5-fluoro-3-pyridinyl)cyclopentan-1-one
CID 64521906
1-chloro-3-(3,5-dimethylphenyl)cycloheptane
CID 64508863
1-(3-chlorocyclopentyl)-4-fluorobenzene
CID 64515664
5-cyclobutylpyridin-3-amine
CID 66520451
4-(3-chlorocyclohexyl)-2-methylthiophene
CID 65102011
3,4,4-trifluoro-1-[4-(5-fluoro-3-pyridinyl)piperidin-1-yl]butan-1-one
CID 175506135
5-(3-chlorocyclohexyl)-2-(trifluoromethyl)-1,3-thiazole
CID 106784219
3-(2,2-dibromocyclopropyl)-5-fluoropyridine
CID 126979804
3-(3-chlorocyclobutyl)oxy-5-fluoropyridine
CID 130708673
3-(3,5-difluorophenyl)cyclohexan-1-amine
CID 64503888

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorocyclohexyl)-5-fluoropyridine?
The IUPAC name of 3-(3-chlorocyclohexyl)-5-fluoropyridine (CID 64514703) is 3-(3-chlorocyclohexyl)-5-fluoropyridine.
What is the SMILES notation for 3-(3-chlorocyclohexyl)-5-fluoropyridine?
The canonical SMILES for 3-(3-chlorocyclohexyl)-5-fluoropyridine is Fc1cncc(C2CCCC(Cl)C2)c1.
What is the InChIKey of 3-(3-chlorocyclohexyl)-5-fluoropyridine?
The InChIKey is MCIMXXGZYRABEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClFN/c12-10-3-1-2-8(4-10)9-5-11(13)7-14-6-9/h5-8,10H,1-4H2.
What are the key properties of 3-(3-chlorocyclohexyl)-5-fluoropyridine?
3-(3-chlorocyclohexyl)-5-fluoropyridine has a molecular weight of 213.68 g/mol, XLogP of 3.49, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorocyclohexyl)-5-fluoropyridine is sourced from PubChem (CID 64514703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).