2-[(Z)-2-(3-bromophenyl)-2-fluoroethenyl]-6-methylpyridine

C14H11BrFN — CID 11185428

IUPAC2-[(Z)-2-(3-bromophenyl)-2-fluoroethenyl]-6-methylpyridine
SMILESCc1cccc(/C=C(\F)c2cccc(Br)c2)n1
InChIInChI=1S/C14H11BrFN/c1-10-4-2-7-13(17-10)9-14(16)11-5-3-6-12(15)8-11/h2-9H,1H3/b14-9-
InChIKeyRKOJZFFXCKEVDY-ZROIWOOFSA-N
MW292.15 g/mol
LogP4.62
Rot. Bonds2

About 2-[(Z)-2-(3-bromophenyl)-2-fluoroethenyl]-6-methylpyridine

2-[(Z)-2-(3-bromophenyl)-2-fluoroethenyl]-6-methylpyridine (PubChem CID 11185428) has the molecular formula C14H11BrFN and a molecular weight of 292.15 g/mol. Its IUPAC name is 2-[(Z)-2-(3-bromophenyl)-2-fluoroethenyl]-6-methylpyridine.

Molecular Properties

Compound Name2-[(Z)-2-(3-bromophenyl)-2-fluoroethenyl]-6-methylpyridine
PubChem CID11185428
Molecular FormulaC14H11BrFN
Molecular Weight292.15 g/mol
Exact Mass291.01
IUPAC Name2-[(Z)-2-(3-bromophenyl)-2-fluoroethenyl]-6-methylpyridine
SMILESCc1cccc(/C=C(\F)c2cccc(Br)c2)n1
InChIInChI=1S/C14H11BrFN/c1-10-4-2-7-13(17-10)9-14(16)11-5-3-6-12(15)8-11/h2-9H,1H3/b14-9-
InChIKeyRKOJZFFXCKEVDY-ZROIWOOFSA-N
XLogP4.62
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.15
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-2-(3-bromophenyl)-2-fluoroethenyl]-6-methylpyridine?
The IUPAC name of 2-[(Z)-2-(3-bromophenyl)-2-fluoroethenyl]-6-methylpyridine (CID 11185428) is 2-[(Z)-2-(3-bromophenyl)-2-fluoroethenyl]-6-methylpyridine.
What is the SMILES notation for 2-[(Z)-2-(3-bromophenyl)-2-fluoroethenyl]-6-methylpyridine?
The canonical SMILES for 2-[(Z)-2-(3-bromophenyl)-2-fluoroethenyl]-6-methylpyridine is Cc1cccc(/C=C(\F)c2cccc(Br)c2)n1.
What is the InChIKey of 2-[(Z)-2-(3-bromophenyl)-2-fluoroethenyl]-6-methylpyridine?
The InChIKey is RKOJZFFXCKEVDY-ZROIWOOFSA-N. The full InChI is InChI=1S/C14H11BrFN/c1-10-4-2-7-13(17-10)9-14(16)11-5-3-6-12(15)8-11/h2-9H,1H3/b14-9-.
What are the key properties of 2-[(Z)-2-(3-bromophenyl)-2-fluoroethenyl]-6-methylpyridine?
2-[(Z)-2-(3-bromophenyl)-2-fluoroethenyl]-6-methylpyridine has a molecular weight of 292.15 g/mol, XLogP of 4.62, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-2-(3-bromophenyl)-2-fluoroethenyl]-6-methylpyridine is sourced from PubChem (CID 11185428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).