2-[(E)-2-bromoethenyl]-5-ethynylpyridine

C9H6BrN — CID 58937457

IUPAC2-[(E)-2-bromoethenyl]-5-ethynylpyridine
SMILESC#Cc1ccc(/C=C/Br)nc1
InChIInChI=1S/C9H6BrN/c1-2-8-3-4-9(5-6-10)11-7-8/h1,3-7H/b6-5+
InChIKeyOFCBMRVRBJRPNI-AATRIKPKSA-N
MW208.06 g/mol
LogP2.43
Rot. Bonds1

About 2-[(E)-2-bromoethenyl]-5-ethynylpyridine

2-[(E)-2-bromoethenyl]-5-ethynylpyridine (PubChem CID 58937457) has the molecular formula C9H6BrN and a molecular weight of 208.06 g/mol. Its IUPAC name is 2-[(E)-2-bromoethenyl]-5-ethynylpyridine.

Molecular Properties

Compound Name2-[(E)-2-bromoethenyl]-5-ethynylpyridine
PubChem CID58937457
Molecular FormulaC9H6BrN
Molecular Weight208.06 g/mol
Exact Mass206.97
IUPAC Name2-[(E)-2-bromoethenyl]-5-ethynylpyridine
SMILESC#Cc1ccc(/C=C/Br)nc1
InChIInChI=1S/C9H6BrN/c1-2-8-3-4-9(5-6-10)11-7-8/h1,3-7H/b6-5+
InChIKeyOFCBMRVRBJRPNI-AATRIKPKSA-N
XLogP2.43
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.06
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

CID 7970
CID 7970
CID 7502
CID 7502
CID 7975
CID 7975
CID 442649
CID 442649
CID 7521
CID 7521
CID 7728
CID 7728
CID 18985
CID 18985
CID 7936
CID 7936
CID 10823
CID 10823
CID 69320
CID 69320
CID 10874
CID 10874
CID 459494
CID 459494

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-bromoethenyl]-5-ethynylpyridine?
The IUPAC name of 2-[(E)-2-bromoethenyl]-5-ethynylpyridine (CID 58937457) is 2-[(E)-2-bromoethenyl]-5-ethynylpyridine.
What is the SMILES notation for 2-[(E)-2-bromoethenyl]-5-ethynylpyridine?
The canonical SMILES for 2-[(E)-2-bromoethenyl]-5-ethynylpyridine is C#Cc1ccc(/C=C/Br)nc1.
What is the InChIKey of 2-[(E)-2-bromoethenyl]-5-ethynylpyridine?
The InChIKey is OFCBMRVRBJRPNI-AATRIKPKSA-N. The full InChI is InChI=1S/C9H6BrN/c1-2-8-3-4-9(5-6-10)11-7-8/h1,3-7H/b6-5+.
What are the key properties of 2-[(E)-2-bromoethenyl]-5-ethynylpyridine?
2-[(E)-2-bromoethenyl]-5-ethynylpyridine has a molecular weight of 208.06 g/mol, XLogP of 2.43, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-bromoethenyl]-5-ethynylpyridine is sourced from PubChem (CID 58937457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).