(3E)-3-(bromomethylidene)-2H-pyridine;hydrobromide

C6H7Br2N — CID 90411034

IUPAC(3E)-3-(bromomethylidene)-2H-pyridine;hydrobromide
SMILESBr.Br/C=C1\C=CC=NC1
InChIInChI=1S/C6H6BrN.BrH/c7-4-6-2-1-3-8-5-6;/h1-4H,5H2;1H/b6-4+;
InChIKeyCVFMJZXKNVRUAV-CVDVRWGVSA-N
MW252.94 g/mol
LogP2.48
Rot. Bonds

About (3E)-3-(bromomethylidene)-2H-pyridine;hydrobromide

(3E)-3-(bromomethylidene)-2H-pyridine;hydrobromide (PubChem CID 90411034) has the molecular formula C6H7Br2N and a molecular weight of 252.94 g/mol. Its IUPAC name is (3E)-3-(bromomethylidene)-2H-pyridine;hydrobromide.

Molecular Properties

Compound Name(3E)-3-(bromomethylidene)-2H-pyridine;hydrobromide
PubChem CID90411034
Molecular FormulaC6H7Br2N
Molecular Weight252.94 g/mol
Exact Mass250.89
IUPAC Name(3E)-3-(bromomethylidene)-2H-pyridine;hydrobromide
SMILESBr.Br/C=C1\C=CC=NC1
InChIInChI=1S/C6H6BrN.BrH/c7-4-6-2-1-3-8-5-6;/h1-4H,5H2;1H/b6-4+;
InChIKeyCVFMJZXKNVRUAV-CVDVRWGVSA-N
XLogP2.48
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.94
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3E)-3-(bromomethylidene)-2H-pyridine;hydrobromide?
The IUPAC name of (3E)-3-(bromomethylidene)-2H-pyridine;hydrobromide (CID 90411034) is (3E)-3-(bromomethylidene)-2H-pyridine;hydrobromide.
What is the SMILES notation for (3E)-3-(bromomethylidene)-2H-pyridine;hydrobromide?
The canonical SMILES for (3E)-3-(bromomethylidene)-2H-pyridine;hydrobromide is Br.Br/C=C1\C=CC=NC1.
What is the InChIKey of (3E)-3-(bromomethylidene)-2H-pyridine;hydrobromide?
The InChIKey is CVFMJZXKNVRUAV-CVDVRWGVSA-N. The full InChI is InChI=1S/C6H6BrN.BrH/c7-4-6-2-1-3-8-5-6;/h1-4H,5H2;1H/b6-4+;.
What are the key properties of (3E)-3-(bromomethylidene)-2H-pyridine;hydrobromide?
(3E)-3-(bromomethylidene)-2H-pyridine;hydrobromide has a molecular weight of 252.94 g/mol, XLogP of 2.48, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-(bromomethylidene)-2H-pyridine;hydrobromide is sourced from PubChem (CID 90411034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).