3-chloro-2-[(E)-2-(2-fluoro-3,5-dimethoxy-4-propan-2-ylphenyl)ethenyl]pyridine

C18H19ClFNO2 — CID 175586727

IUPAC3-chloro-2-[(E)-2-(2-fluoro-3,5-dimethoxy-4-propan-2-ylphenyl)ethenyl]pyridine
SMILESCOc1cc(/C=C/c2ncccc2Cl)c(F)c(OC)c1C(C)C
InChIInChI=1S/C18H19ClFNO2/c1-11(2)16-15(22-3)10-12(17(20)18(16)23-4)7-8-14-13(19)6-5-9-21-14/h5-11H,1-4H3/b8-7+
InChIKeyHCZYNEPWCHGEHF-BQYQJAHWSA-N
MW335.81 g/mol
LogP5.19
Rot. Bonds5

About 3-chloro-2-[(E)-2-(2-fluoro-3,5-dimethoxy-4-propan-2-ylphenyl)ethenyl]pyridine

3-chloro-2-[(E)-2-(2-fluoro-3,5-dimethoxy-4-propan-2-ylphenyl)ethenyl]pyridine (PubChem CID 175586727) has the molecular formula C18H19ClFNO2 and a molecular weight of 335.81 g/mol. Its IUPAC name is 3-chloro-2-[(E)-2-(2-fluoro-3,5-dimethoxy-4-propan-2-ylphenyl)ethenyl]pyridine.

Molecular Properties

Compound Name3-chloro-2-[(E)-2-(2-fluoro-3,5-dimethoxy-4-propan-2-ylphenyl)ethenyl]pyridine
PubChem CID175586727
Molecular FormulaC18H19ClFNO2
Molecular Weight335.81 g/mol
Exact Mass335.11
IUPAC Name3-chloro-2-[(E)-2-(2-fluoro-3,5-dimethoxy-4-propan-2-ylphenyl)ethenyl]pyridine
SMILESCOc1cc(/C=C/c2ncccc2Cl)c(F)c(OC)c1C(C)C
InChIInChI=1S/C18H19ClFNO2/c1-11(2)16-15(22-3)10-12(17(20)18(16)23-4)7-8-14-13(19)6-5-9-21-14/h5-11H,1-4H3/b8-7+
InChIKeyHCZYNEPWCHGEHF-BQYQJAHWSA-N
XLogP5.19
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.81
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[(E)-2-(2-fluoro-3,5-dimethoxy-4-propan-2-ylphenyl)ethenyl]pyridine?
The IUPAC name of 3-chloro-2-[(E)-2-(2-fluoro-3,5-dimethoxy-4-propan-2-ylphenyl)ethenyl]pyridine (CID 175586727) is 3-chloro-2-[(E)-2-(2-fluoro-3,5-dimethoxy-4-propan-2-ylphenyl)ethenyl]pyridine.
What is the SMILES notation for 3-chloro-2-[(E)-2-(2-fluoro-3,5-dimethoxy-4-propan-2-ylphenyl)ethenyl]pyridine?
The canonical SMILES for 3-chloro-2-[(E)-2-(2-fluoro-3,5-dimethoxy-4-propan-2-ylphenyl)ethenyl]pyridine is COc1cc(/C=C/c2ncccc2Cl)c(F)c(OC)c1C(C)C.
What is the InChIKey of 3-chloro-2-[(E)-2-(2-fluoro-3,5-dimethoxy-4-propan-2-ylphenyl)ethenyl]pyridine?
The InChIKey is HCZYNEPWCHGEHF-BQYQJAHWSA-N. The full InChI is InChI=1S/C18H19ClFNO2/c1-11(2)16-15(22-3)10-12(17(20)18(16)23-4)7-8-14-13(19)6-5-9-21-14/h5-11H,1-4H3/b8-7+.
What are the key properties of 3-chloro-2-[(E)-2-(2-fluoro-3,5-dimethoxy-4-propan-2-ylphenyl)ethenyl]pyridine?
3-chloro-2-[(E)-2-(2-fluoro-3,5-dimethoxy-4-propan-2-ylphenyl)ethenyl]pyridine has a molecular weight of 335.81 g/mol, XLogP of 5.19, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[(E)-2-(2-fluoro-3,5-dimethoxy-4-propan-2-ylphenyl)ethenyl]pyridine is sourced from PubChem (CID 175586727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).