6-bromo-6-methylcyclohepta[c]pyridine

C11H10BrN — CID 143619302

IUPAC6-bromo-6-methylcyclohepta[c]pyridine
SMILESCC1(Br)C=CC=c2cnccc2=C1
InChIInChI=1S/C11H10BrN/c1-11(12)5-2-3-10-8-13-6-4-9(10)7-11/h2-8H,1H3
InChIKeyCNCSJVZKBFAZDA-UHFFFAOYSA-N
MW236.11 g/mol
LogP1.37
Rot. Bonds

About 6-bromo-6-methylcyclohepta[c]pyridine

6-bromo-6-methylcyclohepta[c]pyridine (PubChem CID 143619302) has the molecular formula C11H10BrN and a molecular weight of 236.11 g/mol. Its IUPAC name is 6-bromo-6-methylcyclohepta[c]pyridine.

Molecular Properties

Compound Name6-bromo-6-methylcyclohepta[c]pyridine
PubChem CID143619302
Molecular FormulaC11H10BrN
Molecular Weight236.11 g/mol
Exact Mass235.00
IUPAC Name6-bromo-6-methylcyclohepta[c]pyridine
SMILESCC1(Br)C=CC=c2cnccc2=C1
InChIInChI=1S/C11H10BrN/c1-11(12)5-2-3-10-8-13-6-4-9(10)7-11/h2-8H,1H3
InChIKeyCNCSJVZKBFAZDA-UHFFFAOYSA-N
XLogP1.37
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.11
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-6-methylcyclohepta[c]pyridine?
The IUPAC name of 6-bromo-6-methylcyclohepta[c]pyridine (CID 143619302) is 6-bromo-6-methylcyclohepta[c]pyridine.
What is the SMILES notation for 6-bromo-6-methylcyclohepta[c]pyridine?
The canonical SMILES for 6-bromo-6-methylcyclohepta[c]pyridine is CC1(Br)C=CC=c2cnccc2=C1.
What is the InChIKey of 6-bromo-6-methylcyclohepta[c]pyridine?
The InChIKey is CNCSJVZKBFAZDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrN/c1-11(12)5-2-3-10-8-13-6-4-9(10)7-11/h2-8H,1H3.
What are the key properties of 6-bromo-6-methylcyclohepta[c]pyridine?
6-bromo-6-methylcyclohepta[c]pyridine has a molecular weight of 236.11 g/mol, XLogP of 1.37, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-6-methylcyclohepta[c]pyridine is sourced from PubChem (CID 143619302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).