4-(chloromethyl)-2-cyclohexyloxy-3-fluoropyridine

C12H15ClFNO — CID 105383733

IUPAC4-(chloromethyl)-2-cyclohexyloxy-3-fluoropyridine
SMILESFc1c(CCl)ccnc1OC1CCCCC1
InChIInChI=1S/C12H15ClFNO/c13-8-9-6-7-15-12(11(9)14)16-10-4-2-1-3-5-10/h6-7,10H,1-5,8H2
InChIKeyGYKMIOHITAJIBD-UHFFFAOYSA-N
MW243.71 g/mol
LogP3.67
Rot. Bonds3

About 4-(chloromethyl)-2-cyclohexyloxy-3-fluoropyridine

4-(chloromethyl)-2-cyclohexyloxy-3-fluoropyridine (PubChem CID 105383733) has the molecular formula C12H15ClFNO and a molecular weight of 243.71 g/mol. Its IUPAC name is 4-(chloromethyl)-2-cyclohexyloxy-3-fluoropyridine.

Molecular Properties

Compound Name4-(chloromethyl)-2-cyclohexyloxy-3-fluoropyridine
PubChem CID105383733
Molecular FormulaC12H15ClFNO
Molecular Weight243.71 g/mol
Exact Mass243.08
IUPAC Name4-(chloromethyl)-2-cyclohexyloxy-3-fluoropyridine
SMILESFc1c(CCl)ccnc1OC1CCCCC1
InChIInChI=1S/C12H15ClFNO/c13-8-9-6-7-15-12(11(9)14)16-10-4-2-1-3-5-10/h6-7,10H,1-5,8H2
InChIKeyGYKMIOHITAJIBD-UHFFFAOYSA-N
XLogP3.67
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.71
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[3-fluoro-2-(3-methylcyclohexyl)oxy-4-pyridinyl]methanamine
CID 105390958
N-[(2-cyclobutyloxy-3-fluoro-4-pyridinyl)methyl]-2-methylpropan-1-amine
CID 105390709
4-(chloromethyl)-3-fluoro-2-(oxolan-2-ylmethoxy)pyridine
CID 105383749
4-(chloromethyl)-3-fluoro-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]pyridine
CID 105383886
N-[[3-fluoro-2-(3-methoxycyclohexyl)oxy-4-pyridinyl]methyl]propan-1-amine
CID 105391510
2-cyclopentyloxy-3-fluoropyridine
CID 126955068
N-[[3-fluoro-2-(oxan-4-yloxy)-4-pyridinyl]methyl]ethanamine
CID 105390729
4-(chloromethyl)-2-cyclopentyloxypyridine
CID 61257863
[3-fluoro-2-(oxolan-3-yloxy)-4-pyridinyl]methanol
CID 105383369
N-[[3-fluoro-2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]methyl]ethanamine
CID 105390723
4-(chloromethyl)-3-fluoro-2-(3-methylbutan-2-yloxy)pyridine
CID 105383887
4-(chloromethyl)-2-(2,3-dihydro-1H-inden-5-yloxy)-3-fluoropyridine
CID 105383825

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-2-cyclohexyloxy-3-fluoropyridine?
The IUPAC name of 4-(chloromethyl)-2-cyclohexyloxy-3-fluoropyridine (CID 105383733) is 4-(chloromethyl)-2-cyclohexyloxy-3-fluoropyridine.
What is the SMILES notation for 4-(chloromethyl)-2-cyclohexyloxy-3-fluoropyridine?
The canonical SMILES for 4-(chloromethyl)-2-cyclohexyloxy-3-fluoropyridine is Fc1c(CCl)ccnc1OC1CCCCC1.
What is the InChIKey of 4-(chloromethyl)-2-cyclohexyloxy-3-fluoropyridine?
The InChIKey is GYKMIOHITAJIBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClFNO/c13-8-9-6-7-15-12(11(9)14)16-10-4-2-1-3-5-10/h6-7,10H,1-5,8H2.
What are the key properties of 4-(chloromethyl)-2-cyclohexyloxy-3-fluoropyridine?
4-(chloromethyl)-2-cyclohexyloxy-3-fluoropyridine has a molecular weight of 243.71 g/mol, XLogP of 3.67, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-2-cyclohexyloxy-3-fluoropyridine is sourced from PubChem (CID 105383733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).