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

C9H6N2 — CID 122500711

IUPAC6H-pyrido[2,3-c]azepine
SMILESC1=C=NC2=CN=CCC=C2C=1
InChIInChI=1S/C9H6N2/c1-3-8-4-2-6-11-9(8)7-10-5-1/h3-5,7H,1H2
InChIKeyZKXODKKTPWJTRM-UHFFFAOYSA-N
MW142.16 g/mol
LogP1.62
Rot. Bonds

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

6H-pyrido[2,3-c]azepine (PubChem CID 122500711) has the molecular formula C9H6N2 and a molecular weight of 142.16 g/mol. Its IUPAC name is 6H-pyrido[2,3-c]azepine.

Molecular Properties

Compound Name6H-pyrido[2,3-c]azepine
PubChem CID122500711
Molecular FormulaC9H6N2
Molecular Weight142.16 g/mol
Exact Mass142.05
IUPAC Name6H-pyrido[2,3-c]azepine
SMILESC1=C=NC2=CN=CCC=C2C=1
InChIInChI=1S/C9H6N2/c1-3-8-4-2-6-11-9(8)7-10-5-1/h3-5,7H,1H2
InChIKeyZKXODKKTPWJTRM-UHFFFAOYSA-N
XLogP1.62
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.16
LogP ≤ 51.62
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-c]azepine?
The IUPAC name of 6H-pyrido[2,3-c]azepine (CID 122500711) is 6H-pyrido[2,3-c]azepine.
What is the SMILES notation for 6H-pyrido[2,3-c]azepine?
The canonical SMILES for 6H-pyrido[2,3-c]azepine is C1=C=NC2=CN=CCC=C2C=1.
What is the InChIKey of 6H-pyrido[2,3-c]azepine?
The InChIKey is ZKXODKKTPWJTRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N2/c1-3-8-4-2-6-11-9(8)7-10-5-1/h3-5,7H,1H2.
What are the key properties of 6H-pyrido[2,3-c]azepine?
6H-pyrido[2,3-c]azepine has a molecular weight of 142.16 g/mol, XLogP of 1.62, 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-c]azepine is sourced from PubChem (CID 122500711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).