(2Z)-5-bromo-1-methyl-2-[(Z)-pent-2-enylidene]pyridine

C11H14BrN — CID 145013063

IUPAC(2Z)-5-bromo-1-methyl-2-[(Z)-pent-2-enylidene]pyridine
SMILESCC/C=C\C=C1\C=CC(Br)=CN1C
InChIInChI=1S/C11H14BrN/c1-3-4-5-6-11-8-7-10(12)9-13(11)2/h4-9H,3H2,1-2H3/b5-4-,11-6-
InChIKeyAUPCVMRFLFWESO-QSRWPRAKSA-N
MW240.14 g/mol
LogP3.57
Rot. Bonds2

About (2Z)-5-bromo-1-methyl-2-[(Z)-pent-2-enylidene]pyridine

(2Z)-5-bromo-1-methyl-2-[(Z)-pent-2-enylidene]pyridine (PubChem CID 145013063) has the molecular formula C11H14BrN and a molecular weight of 240.14 g/mol. Its IUPAC name is (2Z)-5-bromo-1-methyl-2-[(Z)-pent-2-enylidene]pyridine.

Molecular Properties

Compound Name(2Z)-5-bromo-1-methyl-2-[(Z)-pent-2-enylidene]pyridine
PubChem CID145013063
Molecular FormulaC11H14BrN
Molecular Weight240.14 g/mol
Exact Mass239.03
IUPAC Name(2Z)-5-bromo-1-methyl-2-[(Z)-pent-2-enylidene]pyridine
SMILESCC/C=C\C=C1\C=CC(Br)=CN1C
InChIInChI=1S/C11H14BrN/c1-3-4-5-6-11-8-7-10(12)9-13(11)2/h4-9H,3H2,1-2H3/b5-4-,11-6-
InChIKeyAUPCVMRFLFWESO-QSRWPRAKSA-N
XLogP3.57
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.14
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (2Z)-5-bromo-1-methyl-2-[(Z)-pent-2-enylidene]pyridine?
The IUPAC name of (2Z)-5-bromo-1-methyl-2-[(Z)-pent-2-enylidene]pyridine (CID 145013063) is (2Z)-5-bromo-1-methyl-2-[(Z)-pent-2-enylidene]pyridine.
What is the SMILES notation for (2Z)-5-bromo-1-methyl-2-[(Z)-pent-2-enylidene]pyridine?
The canonical SMILES for (2Z)-5-bromo-1-methyl-2-[(Z)-pent-2-enylidene]pyridine is CC/C=C\C=C1\C=CC(Br)=CN1C.
What is the InChIKey of (2Z)-5-bromo-1-methyl-2-[(Z)-pent-2-enylidene]pyridine?
The InChIKey is AUPCVMRFLFWESO-QSRWPRAKSA-N. The full InChI is InChI=1S/C11H14BrN/c1-3-4-5-6-11-8-7-10(12)9-13(11)2/h4-9H,3H2,1-2H3/b5-4-,11-6-.
What are the key properties of (2Z)-5-bromo-1-methyl-2-[(Z)-pent-2-enylidene]pyridine?
(2Z)-5-bromo-1-methyl-2-[(Z)-pent-2-enylidene]pyridine has a molecular weight of 240.14 g/mol, XLogP of 3.57, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-5-bromo-1-methyl-2-[(Z)-pent-2-enylidene]pyridine is sourced from PubChem (CID 145013063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).