6H-pyrido[2,3-b]azepine

C9H8N2 — CID 143294949

IUPAC6H-pyrido[2,3-b]azepine
SMILESC1=CN=c2ncccc2=CC1
InChIInChI=1S/C9H8N2/c1-2-6-10-9-8(4-1)5-3-7-11-9/h2-7H,1H2
InChIKeyNUJIYMPPSRDHQK-UHFFFAOYSA-N
MW144.18 g/mol
LogP0.40
Rot. Bonds

About 6H-pyrido[2,3-b]azepine

6H-pyrido[2,3-b]azepine (PubChem CID 143294949) has the molecular formula C9H8N2 and a molecular weight of 144.18 g/mol. Its IUPAC name is 6H-pyrido[2,3-b]azepine.

Molecular Properties

Compound Name6H-pyrido[2,3-b]azepine
PubChem CID143294949
Molecular FormulaC9H8N2
Molecular Weight144.18 g/mol
Exact Mass144.07
IUPAC Name6H-pyrido[2,3-b]azepine
SMILESC1=CN=c2ncccc2=CC1
InChIInChI=1S/C9H8N2/c1-2-6-10-9-8(4-1)5-3-7-11-9/h2-7H,1H2
InChIKeyNUJIYMPPSRDHQK-UHFFFAOYSA-N
XLogP0.40
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 ≤ 50.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6H-pyrido[2,3-b]azepine?
The IUPAC name of 6H-pyrido[2,3-b]azepine (CID 143294949) is 6H-pyrido[2,3-b]azepine.
What is the SMILES notation for 6H-pyrido[2,3-b]azepine?
The canonical SMILES for 6H-pyrido[2,3-b]azepine is C1=CN=c2ncccc2=CC1.
What is the InChIKey of 6H-pyrido[2,3-b]azepine?
The InChIKey is NUJIYMPPSRDHQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2/c1-2-6-10-9-8(4-1)5-3-7-11-9/h2-7H,1H2.
What are the key properties of 6H-pyrido[2,3-b]azepine?
6H-pyrido[2,3-b]azepine has a molecular weight of 144.18 g/mol, XLogP of 0.40, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6H-pyrido[2,3-b]azepine is sourced from PubChem (CID 143294949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).