3-iodo-3-methylpyrido[3,2-c]diazepine

C9H8IN3 — CID 143335420

IUPAC3-iodo-3-methylpyrido[3,2-c]diazepine
SMILESCC1(I)C=Cc2ncccc2N=N1
InChIInChI=1S/C9H8IN3/c1-9(10)5-4-7-8(12-13-9)3-2-6-11-7/h2-6H,1H3
InChIKeyJVLYGFOACOJGGH-UHFFFAOYSA-N
MW285.09 g/mol
LogP3.34
Rot. Bonds

About 3-iodo-3-methylpyrido[3,2-c]diazepine

3-iodo-3-methylpyrido[3,2-c]diazepine (PubChem CID 143335420) has the molecular formula C9H8IN3 and a molecular weight of 285.09 g/mol. Its IUPAC name is 3-iodo-3-methylpyrido[3,2-c]diazepine.

Molecular Properties

Compound Name3-iodo-3-methylpyrido[3,2-c]diazepine
PubChem CID143335420
Molecular FormulaC9H8IN3
Molecular Weight285.09 g/mol
Exact Mass284.98
IUPAC Name3-iodo-3-methylpyrido[3,2-c]diazepine
SMILESCC1(I)C=Cc2ncccc2N=N1
InChIInChI=1S/C9H8IN3/c1-9(10)5-4-7-8(12-13-9)3-2-6-11-7/h2-6H,1H3
InChIKeyJVLYGFOACOJGGH-UHFFFAOYSA-N
XLogP3.34
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.09
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-iodo-3-methyl-1,2-benzodiazepine
CID 143248631
7-tert-butyl-7-methylpyrido[3,2-b]azepine
CID 155721847
7-ethyl-7-methylpyrido[3,2-b]azepine
CID 155312347
7-methylpyrido[2,3-c]azepin-7-amine
CID 143248604
3,3-dimethylpyrazolo[3,4-b]pyridine
CID 90929047
5H-cyclopenta[b]pyridine
CID 575987
5,6-dihydroquinoline;ethane
CID 142006347
4-thia-9,14-diazatricyclo[8.4.0.03,7]tetradeca-1(10),2,6,8,11,13-hexaene
CID 139785568
methoxymethane;3-methylpyridin-2-amine
CID 142348172
5,6-dimethyl-5H-cyclopenta[b]pyridine
CID 12646115
2-methyl-1-(3-methyl-2-pyridinyl)-N-propan-2-ylpropan-1-amine
CID 115752072
(5E,7Z,9Z,11Z,13E)-cyclododeca[b]pyridine
CID 91868291

Frequently Asked Questions

What is the IUPAC name of 3-iodo-3-methylpyrido[3,2-c]diazepine?
The IUPAC name of 3-iodo-3-methylpyrido[3,2-c]diazepine (CID 143335420) is 3-iodo-3-methylpyrido[3,2-c]diazepine.
What is the SMILES notation for 3-iodo-3-methylpyrido[3,2-c]diazepine?
The canonical SMILES for 3-iodo-3-methylpyrido[3,2-c]diazepine is CC1(I)C=Cc2ncccc2N=N1.
What is the InChIKey of 3-iodo-3-methylpyrido[3,2-c]diazepine?
The InChIKey is JVLYGFOACOJGGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8IN3/c1-9(10)5-4-7-8(12-13-9)3-2-6-11-7/h2-6H,1H3.
What are the key properties of 3-iodo-3-methylpyrido[3,2-c]diazepine?
3-iodo-3-methylpyrido[3,2-c]diazepine has a molecular weight of 285.09 g/mol, XLogP of 3.34, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-3-methylpyrido[3,2-c]diazepine is sourced from PubChem (CID 143335420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).