7H-pyrido[3,4-c]azepine

C9H8N2 — CID 166864655

IUPAC7H-pyrido[3,4-c]azepine
SMILESC1=Cc2ccncc2C=NC1
InChIInChI=1S/C9H8N2/c1-2-8-3-5-11-7-9(8)6-10-4-1/h1-3,5-7H,4H2
InChIKeyJAOTWTVTAMUCJE-UHFFFAOYSA-N
MW144.18 g/mol
LogP1.53
Rot. Bonds

About 7H-pyrido[3,4-c]azepine

7H-pyrido[3,4-c]azepine (PubChem CID 166864655) has the molecular formula C9H8N2 and a molecular weight of 144.18 g/mol. Its IUPAC name is 7H-pyrido[3,4-c]azepine.

Molecular Properties

Compound Name7H-pyrido[3,4-c]azepine
PubChem CID166864655
Molecular FormulaC9H8N2
Molecular Weight144.18 g/mol
Exact Mass144.07
IUPAC Name7H-pyrido[3,4-c]azepine
SMILESC1=Cc2ccncc2C=NC1
InChIInChI=1S/C9H8N2/c1-2-8-3-5-11-7-9(8)6-10-4-1/h1-3,5-7H,4H2
InChIKeyJAOTWTVTAMUCJE-UHFFFAOYSA-N
XLogP1.53
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.18
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7H-pyrido[3,4-c]azepine?
The IUPAC name of 7H-pyrido[3,4-c]azepine (CID 166864655) is 7H-pyrido[3,4-c]azepine.
What is the SMILES notation for 7H-pyrido[3,4-c]azepine?
The canonical SMILES for 7H-pyrido[3,4-c]azepine is C1=Cc2ccncc2C=NC1.
What is the InChIKey of 7H-pyrido[3,4-c]azepine?
The InChIKey is JAOTWTVTAMUCJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2/c1-2-8-3-5-11-7-9(8)6-10-4-1/h1-3,5-7H,4H2.
What are the key properties of 7H-pyrido[3,4-c]azepine?
7H-pyrido[3,4-c]azepine has a molecular weight of 144.18 g/mol, XLogP of 1.53, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7H-pyrido[3,4-c]azepine is sourced from PubChem (CID 166864655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).