3-bromo-6-(2-chlorophenyl)-1-ethyl-2-methylidenepyridine

C14H13BrClN — CID 158628647

IUPAC3-bromo-6-(2-chlorophenyl)-1-ethyl-2-methylidenepyridine
SMILESC=C1C(Br)=CC=C(c2ccccc2Cl)N1CC
InChIInChI=1S/C14H13BrClN/c1-3-17-10(2)12(15)8-9-14(17)11-6-4-5-7-13(11)16/h4-9H,2-3H2,1H3
InChIKeyGXBDDGQWNUMLGE-UHFFFAOYSA-N
MW310.62 g/mol
LogP4.81
Rot. Bonds2

About 3-bromo-6-(2-chlorophenyl)-1-ethyl-2-methylidenepyridine

3-bromo-6-(2-chlorophenyl)-1-ethyl-2-methylidenepyridine (PubChem CID 158628647) has the molecular formula C14H13BrClN and a molecular weight of 310.62 g/mol. Its IUPAC name is 3-bromo-6-(2-chlorophenyl)-1-ethyl-2-methylidenepyridine.

Molecular Properties

Compound Name3-bromo-6-(2-chlorophenyl)-1-ethyl-2-methylidenepyridine
PubChem CID158628647
Molecular FormulaC14H13BrClN
Molecular Weight310.62 g/mol
Exact Mass308.99
IUPAC Name3-bromo-6-(2-chlorophenyl)-1-ethyl-2-methylidenepyridine
SMILESC=C1C(Br)=CC=C(c2ccccc2Cl)N1CC
InChIInChI=1S/C14H13BrClN/c1-3-17-10(2)12(15)8-9-14(17)11-6-4-5-7-13(11)16/h4-9H,2-3H2,1H3
InChIKeyGXBDDGQWNUMLGE-UHFFFAOYSA-N
XLogP4.81
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.62
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-6-(2-chlorophenyl)-1-ethyl-2-methylidenepyridine?
The IUPAC name of 3-bromo-6-(2-chlorophenyl)-1-ethyl-2-methylidenepyridine (CID 158628647) is 3-bromo-6-(2-chlorophenyl)-1-ethyl-2-methylidenepyridine.
What is the SMILES notation for 3-bromo-6-(2-chlorophenyl)-1-ethyl-2-methylidenepyridine?
The canonical SMILES for 3-bromo-6-(2-chlorophenyl)-1-ethyl-2-methylidenepyridine is C=C1C(Br)=CC=C(c2ccccc2Cl)N1CC.
What is the InChIKey of 3-bromo-6-(2-chlorophenyl)-1-ethyl-2-methylidenepyridine?
The InChIKey is GXBDDGQWNUMLGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrClN/c1-3-17-10(2)12(15)8-9-14(17)11-6-4-5-7-13(11)16/h4-9H,2-3H2,1H3.
What are the key properties of 3-bromo-6-(2-chlorophenyl)-1-ethyl-2-methylidenepyridine?
3-bromo-6-(2-chlorophenyl)-1-ethyl-2-methylidenepyridine has a molecular weight of 310.62 g/mol, XLogP of 4.81, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-6-(2-chlorophenyl)-1-ethyl-2-methylidenepyridine is sourced from PubChem (CID 158628647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).