3-chloro-5-fluoro-2-[7-(1-methoxyethenyl)naphthalen-1-yl]pyridine

C18H13ClFNO — CID 70227842

IUPAC3-chloro-5-fluoro-2-[7-(1-methoxyethenyl)naphthalen-1-yl]pyridine
SMILESC=C(OC)c1ccc2cccc(-c3ncc(F)cc3Cl)c2c1
InChIInChI=1S/C18H13ClFNO/c1-11(22-2)13-7-6-12-4-3-5-15(16(12)8-13)18-17(19)9-14(20)10-21-18/h3-10H,1H2,2H3
InChIKeyUNKDDWCSHDCFSZ-UHFFFAOYSA-N
MW313.76 g/mol
LogP5.31
Rot. Bonds3

About 3-chloro-5-fluoro-2-[7-(1-methoxyethenyl)naphthalen-1-yl]pyridine

3-chloro-5-fluoro-2-[7-(1-methoxyethenyl)naphthalen-1-yl]pyridine (PubChem CID 70227842) has the molecular formula C18H13ClFNO and a molecular weight of 313.76 g/mol. Its IUPAC name is 3-chloro-5-fluoro-2-[7-(1-methoxyethenyl)naphthalen-1-yl]pyridine.

Molecular Properties

Compound Name3-chloro-5-fluoro-2-[7-(1-methoxyethenyl)naphthalen-1-yl]pyridine
PubChem CID70227842
Molecular FormulaC18H13ClFNO
Molecular Weight313.76 g/mol
Exact Mass313.07
IUPAC Name3-chloro-5-fluoro-2-[7-(1-methoxyethenyl)naphthalen-1-yl]pyridine
SMILESC=C(OC)c1ccc2cccc(-c3ncc(F)cc3Cl)c2c1
InChIInChI=1S/C18H13ClFNO/c1-11(22-2)13-7-6-12-4-3-5-15(16(12)8-13)18-17(19)9-14(20)10-21-18/h3-10H,1H2,2H3
InChIKeyUNKDDWCSHDCFSZ-UHFFFAOYSA-N
XLogP5.31
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.76
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze 3-chloro-5-fluoro-2-[7-(1-methoxyethenyl)naphthalen-1-yl]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 3-chloro-5-fluoro-2-[7-(1-methoxyethenyl)naphthalen-1-yl]pyridine?
The IUPAC name of 3-chloro-5-fluoro-2-[7-(1-methoxyethenyl)naphthalen-1-yl]pyridine (CID 70227842) is 3-chloro-5-fluoro-2-[7-(1-methoxyethenyl)naphthalen-1-yl]pyridine.
What is the SMILES notation for 3-chloro-5-fluoro-2-[7-(1-methoxyethenyl)naphthalen-1-yl]pyridine?
The canonical SMILES for 3-chloro-5-fluoro-2-[7-(1-methoxyethenyl)naphthalen-1-yl]pyridine is C=C(OC)c1ccc2cccc(-c3ncc(F)cc3Cl)c2c1.
What is the InChIKey of 3-chloro-5-fluoro-2-[7-(1-methoxyethenyl)naphthalen-1-yl]pyridine?
The InChIKey is UNKDDWCSHDCFSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClFNO/c1-11(22-2)13-7-6-12-4-3-5-15(16(12)8-13)18-17(19)9-14(20)10-21-18/h3-10H,1H2,2H3.
What are the key properties of 3-chloro-5-fluoro-2-[7-(1-methoxyethenyl)naphthalen-1-yl]pyridine?
3-chloro-5-fluoro-2-[7-(1-methoxyethenyl)naphthalen-1-yl]pyridine has a molecular weight of 313.76 g/mol, XLogP of 5.31, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-fluoro-2-[7-(1-methoxyethenyl)naphthalen-1-yl]pyridine is sourced from PubChem (CID 70227842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).