2-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-methylpyridine

C14H11F2N — CID 18763165

IUPAC2-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-methylpyridine
SMILESCc1cccc(/C=C/c2ccc(F)c(F)c2)n1
InChIInChI=1S/C14H11F2N/c1-10-3-2-4-12(17-10)7-5-11-6-8-13(15)14(16)9-11/h2-9H,1H3/b7-5+
InChIKeyJLQQTZFBNVJFKJ-FNORWQNLSA-N
MW231.24 g/mol
LogP3.84
Rot. Bonds2

About 2-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-methylpyridine

2-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-methylpyridine (PubChem CID 18763165) has the molecular formula C14H11F2N and a molecular weight of 231.24 g/mol. Its IUPAC name is 2-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-methylpyridine.

Molecular Properties

Compound Name2-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-methylpyridine
PubChem CID18763165
Molecular FormulaC14H11F2N
Molecular Weight231.24 g/mol
Exact Mass231.09
IUPAC Name2-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-methylpyridine
SMILESCc1cccc(/C=C/c2ccc(F)c(F)c2)n1
InChIInChI=1S/C14H11F2N/c1-10-3-2-4-12(17-10)7-5-11-6-8-13(15)14(16)9-11/h2-9H,1H3/b7-5+
InChIKeyJLQQTZFBNVJFKJ-FNORWQNLSA-N
XLogP3.84
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.24
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-methylpyridine?
The IUPAC name of 2-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-methylpyridine (CID 18763165) is 2-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-methylpyridine.
What is the SMILES notation for 2-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-methylpyridine?
The canonical SMILES for 2-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-methylpyridine is Cc1cccc(/C=C/c2ccc(F)c(F)c2)n1.
What is the InChIKey of 2-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-methylpyridine?
The InChIKey is JLQQTZFBNVJFKJ-FNORWQNLSA-N. The full InChI is InChI=1S/C14H11F2N/c1-10-3-2-4-12(17-10)7-5-11-6-8-13(15)14(16)9-11/h2-9H,1H3/b7-5+.
What are the key properties of 2-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-methylpyridine?
2-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-methylpyridine has a molecular weight of 231.24 g/mol, XLogP of 3.84, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-methylpyridine is sourced from PubChem (CID 18763165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).