6-iodo-6-methylpyrido[2,3-b]azepine

C10H9IN2 — CID 143253986

IUPAC6-iodo-6-methylpyrido[2,3-b]azepine
SMILESCC1(I)C=CN=c2ncccc2=C1
InChIInChI=1S/C10H9IN2/c1-10(11)4-6-13-9-8(7-10)3-2-5-12-9/h2-7H,1H3
InChIKeyWTJUBWDGXNSJNH-UHFFFAOYSA-N
MW284.10 g/mol
LogP1.20
Rot. Bonds

About 6-iodo-6-methylpyrido[2,3-b]azepine

6-iodo-6-methylpyrido[2,3-b]azepine (PubChem CID 143253986) has the molecular formula C10H9IN2 and a molecular weight of 284.10 g/mol. Its IUPAC name is 6-iodo-6-methylpyrido[2,3-b]azepine.

Molecular Properties

Compound Name6-iodo-6-methylpyrido[2,3-b]azepine
PubChem CID143253986
Molecular FormulaC10H9IN2
Molecular Weight284.10 g/mol
Exact Mass283.98
IUPAC Name6-iodo-6-methylpyrido[2,3-b]azepine
SMILESCC1(I)C=CN=c2ncccc2=C1
InChIInChI=1S/C10H9IN2/c1-10(11)4-6-13-9-8(7-10)3-2-5-12-9/h2-7H,1H3
InChIKeyWTJUBWDGXNSJNH-UHFFFAOYSA-N
XLogP1.20
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.10
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-iodo-6-methylpyrido[2,3-b]azepine?
The IUPAC name of 6-iodo-6-methylpyrido[2,3-b]azepine (CID 143253986) is 6-iodo-6-methylpyrido[2,3-b]azepine.
What is the SMILES notation for 6-iodo-6-methylpyrido[2,3-b]azepine?
The canonical SMILES for 6-iodo-6-methylpyrido[2,3-b]azepine is CC1(I)C=CN=c2ncccc2=C1.
What is the InChIKey of 6-iodo-6-methylpyrido[2,3-b]azepine?
The InChIKey is WTJUBWDGXNSJNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9IN2/c1-10(11)4-6-13-9-8(7-10)3-2-5-12-9/h2-7H,1H3.
What are the key properties of 6-iodo-6-methylpyrido[2,3-b]azepine?
6-iodo-6-methylpyrido[2,3-b]azepine has a molecular weight of 284.10 g/mol, XLogP of 1.20, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-iodo-6-methylpyrido[2,3-b]azepine is sourced from PubChem (CID 143253986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).