2-bromo-3-[(Z)-2-(2-bromo-6-methyl-3-pyridinyl)ethenyl]-6-methylpyridine

C14H12Br2N2 — CID 16680859

IUPAC2-bromo-3-[(Z)-2-(2-bromo-6-methyl-3-pyridinyl)ethenyl]-6-methylpyridine
SMILESCc1ccc(/C=C\c2ccc(C)nc2Br)c(Br)n1
InChIInChI=1S/C14H12Br2N2/c1-9-3-5-11(13(15)17-9)7-8-12-6-4-10(2)18-14(12)16/h3-8H,1-2H3/b8-7-
InChIKeyVBKXEHRBCDELKS-FPLPWBNLSA-N
MW368.07 g/mol
LogP4.79
Rot. Bonds2

About 2-bromo-3-[(Z)-2-(2-bromo-6-methyl-3-pyridinyl)ethenyl]-6-methylpyridine

2-bromo-3-[(Z)-2-(2-bromo-6-methyl-3-pyridinyl)ethenyl]-6-methylpyridine (PubChem CID 16680859) has the molecular formula C14H12Br2N2 and a molecular weight of 368.07 g/mol. Its IUPAC name is 2-bromo-3-[(Z)-2-(2-bromo-6-methyl-3-pyridinyl)ethenyl]-6-methylpyridine.

Molecular Properties

Compound Name2-bromo-3-[(Z)-2-(2-bromo-6-methyl-3-pyridinyl)ethenyl]-6-methylpyridine
PubChem CID16680859
Molecular FormulaC14H12Br2N2
Molecular Weight368.07 g/mol
Exact Mass365.94
IUPAC Name2-bromo-3-[(Z)-2-(2-bromo-6-methyl-3-pyridinyl)ethenyl]-6-methylpyridine
SMILESCc1ccc(/C=C\c2ccc(C)nc2Br)c(Br)n1
InChIInChI=1S/C14H12Br2N2/c1-9-3-5-11(13(15)17-9)7-8-12-6-4-10(2)18-14(12)16/h3-8H,1-2H3/b8-7-
InChIKeyVBKXEHRBCDELKS-FPLPWBNLSA-N
XLogP4.79
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.07
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-[(Z)-2-(2-bromo-6-methyl-3-pyridinyl)ethenyl]-6-methylpyridine?
The IUPAC name of 2-bromo-3-[(Z)-2-(2-bromo-6-methyl-3-pyridinyl)ethenyl]-6-methylpyridine (CID 16680859) is 2-bromo-3-[(Z)-2-(2-bromo-6-methyl-3-pyridinyl)ethenyl]-6-methylpyridine.
What is the SMILES notation for 2-bromo-3-[(Z)-2-(2-bromo-6-methyl-3-pyridinyl)ethenyl]-6-methylpyridine?
The canonical SMILES for 2-bromo-3-[(Z)-2-(2-bromo-6-methyl-3-pyridinyl)ethenyl]-6-methylpyridine is Cc1ccc(/C=C\c2ccc(C)nc2Br)c(Br)n1.
What is the InChIKey of 2-bromo-3-[(Z)-2-(2-bromo-6-methyl-3-pyridinyl)ethenyl]-6-methylpyridine?
The InChIKey is VBKXEHRBCDELKS-FPLPWBNLSA-N. The full InChI is InChI=1S/C14H12Br2N2/c1-9-3-5-11(13(15)17-9)7-8-12-6-4-10(2)18-14(12)16/h3-8H,1-2H3/b8-7-.
What are the key properties of 2-bromo-3-[(Z)-2-(2-bromo-6-methyl-3-pyridinyl)ethenyl]-6-methylpyridine?
2-bromo-3-[(Z)-2-(2-bromo-6-methyl-3-pyridinyl)ethenyl]-6-methylpyridine has a molecular weight of 368.07 g/mol, XLogP of 4.79, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-[(Z)-2-(2-bromo-6-methyl-3-pyridinyl)ethenyl]-6-methylpyridine is sourced from PubChem (CID 16680859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).