4-(chloromethyl)-3-fluoro-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]pyridine

C16H21ClFNO — CID 105383886

IUPAC4-(chloromethyl)-3-fluoro-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]pyridine
SMILESCC1(C)C2CCC1(C)C(Oc1nccc(CCl)c1F)C2
InChIInChI=1S/C16H21ClFNO/c1-15(2)11-4-6-16(15,3)12(8-11)20-14-13(18)10(9-17)5-7-19-14/h5,7,11-12H,4,6,8-9H2,1-3H3
InChIKeyWSZJSTDHWBLCOC-UHFFFAOYSA-N
MW297.80 g/mol
LogP4.55
Rot. Bonds3

About 4-(chloromethyl)-3-fluoro-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]pyridine

4-(chloromethyl)-3-fluoro-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]pyridine (PubChem CID 105383886) has the molecular formula C16H21ClFNO and a molecular weight of 297.80 g/mol. Its IUPAC name is 4-(chloromethyl)-3-fluoro-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]pyridine.

Molecular Properties

Compound Name4-(chloromethyl)-3-fluoro-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]pyridine
PubChem CID105383886
Molecular FormulaC16H21ClFNO
Molecular Weight297.80 g/mol
Exact Mass297.13
IUPAC Name4-(chloromethyl)-3-fluoro-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]pyridine
SMILESCC1(C)C2CCC1(C)C(Oc1nccc(CCl)c1F)C2
InChIInChI=1S/C16H21ClFNO/c1-15(2)11-4-6-16(15,3)12(8-11)20-14-13(18)10(9-17)5-7-19-14/h5,7,11-12H,4,6,8-9H2,1-3H3
InChIKeyWSZJSTDHWBLCOC-UHFFFAOYSA-N
XLogP4.55
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.80
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(chloromethyl)-3-fluoro-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-3-fluoro-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]pyridine?
The IUPAC name of 4-(chloromethyl)-3-fluoro-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]pyridine (CID 105383886) is 4-(chloromethyl)-3-fluoro-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]pyridine.
What is the SMILES notation for 4-(chloromethyl)-3-fluoro-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]pyridine?
The canonical SMILES for 4-(chloromethyl)-3-fluoro-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]pyridine is CC1(C)C2CCC1(C)C(Oc1nccc(CCl)c1F)C2.
What is the InChIKey of 4-(chloromethyl)-3-fluoro-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]pyridine?
The InChIKey is WSZJSTDHWBLCOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClFNO/c1-15(2)11-4-6-16(15,3)12(8-11)20-14-13(18)10(9-17)5-7-19-14/h5,7,11-12H,4,6,8-9H2,1-3H3.
What are the key properties of 4-(chloromethyl)-3-fluoro-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]pyridine?
4-(chloromethyl)-3-fluoro-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]pyridine has a molecular weight of 297.80 g/mol, XLogP of 4.55, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-3-fluoro-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]pyridine is sourced from PubChem (CID 105383886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).