2-methyl-6-[(E)-2-(2,3,4,5-tetrafluorophenyl)ethenyl]pyridine

C14H9F4N — CID 142645463

IUPAC2-methyl-6-[(E)-2-(2,3,4,5-tetrafluorophenyl)ethenyl]pyridine
SMILESCc1cccc(/C=C/c2cc(F)c(F)c(F)c2F)n1
InChIInChI=1S/C14H9F4N/c1-8-3-2-4-10(19-8)6-5-9-7-11(15)13(17)14(18)12(9)16/h2-7H,1H3/b6-5+
InChIKeyVHKMQTRIKRYVLB-AATRIKPKSA-N
MW267.23 g/mol
LogP4.12
Rot. Bonds2

About 2-methyl-6-[(E)-2-(2,3,4,5-tetrafluorophenyl)ethenyl]pyridine

2-methyl-6-[(E)-2-(2,3,4,5-tetrafluorophenyl)ethenyl]pyridine (PubChem CID 142645463) has the molecular formula C14H9F4N and a molecular weight of 267.23 g/mol. Its IUPAC name is 2-methyl-6-[(E)-2-(2,3,4,5-tetrafluorophenyl)ethenyl]pyridine.

Molecular Properties

Compound Name2-methyl-6-[(E)-2-(2,3,4,5-tetrafluorophenyl)ethenyl]pyridine
PubChem CID142645463
Molecular FormulaC14H9F4N
Molecular Weight267.23 g/mol
Exact Mass267.07
IUPAC Name2-methyl-6-[(E)-2-(2,3,4,5-tetrafluorophenyl)ethenyl]pyridine
SMILESCc1cccc(/C=C/c2cc(F)c(F)c(F)c2F)n1
InChIInChI=1S/C14H9F4N/c1-8-3-2-4-10(19-8)6-5-9-7-11(15)13(17)14(18)12(9)16/h2-7H,1H3/b6-5+
InChIKeyVHKMQTRIKRYVLB-AATRIKPKSA-N
XLogP4.12
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.23
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[(E)-2-(2,3,4,5-tetrafluorophenyl)ethenyl]pyridine?
The IUPAC name of 2-methyl-6-[(E)-2-(2,3,4,5-tetrafluorophenyl)ethenyl]pyridine (CID 142645463) is 2-methyl-6-[(E)-2-(2,3,4,5-tetrafluorophenyl)ethenyl]pyridine.
What is the SMILES notation for 2-methyl-6-[(E)-2-(2,3,4,5-tetrafluorophenyl)ethenyl]pyridine?
The canonical SMILES for 2-methyl-6-[(E)-2-(2,3,4,5-tetrafluorophenyl)ethenyl]pyridine is Cc1cccc(/C=C/c2cc(F)c(F)c(F)c2F)n1.
What is the InChIKey of 2-methyl-6-[(E)-2-(2,3,4,5-tetrafluorophenyl)ethenyl]pyridine?
The InChIKey is VHKMQTRIKRYVLB-AATRIKPKSA-N. The full InChI is InChI=1S/C14H9F4N/c1-8-3-2-4-10(19-8)6-5-9-7-11(15)13(17)14(18)12(9)16/h2-7H,1H3/b6-5+.
What are the key properties of 2-methyl-6-[(E)-2-(2,3,4,5-tetrafluorophenyl)ethenyl]pyridine?
2-methyl-6-[(E)-2-(2,3,4,5-tetrafluorophenyl)ethenyl]pyridine has a molecular weight of 267.23 g/mol, XLogP of 4.12, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[(E)-2-(2,3,4,5-tetrafluorophenyl)ethenyl]pyridine is sourced from PubChem (CID 142645463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).