2,6-dimethyl-8H-pyrido[2,3-c]azepine

C11H12N2 — CID 131966672

IUPAC2,6-dimethyl-8H-pyrido[2,3-c]azepine
SMILESCC1=CNC=c2nc(C)ccc2=C1
InChIInChI=1S/C11H12N2/c1-8-5-10-4-3-9(2)13-11(10)7-12-6-8/h3-7,12H,1-2H3
InChIKeyNWSVDGJTFUGQRX-UHFFFAOYSA-N
MW172.23 g/mol
LogP0.42
Rot. Bonds

About 2,6-dimethyl-8H-pyrido[2,3-c]azepine

2,6-dimethyl-8H-pyrido[2,3-c]azepine (PubChem CID 131966672) has the molecular formula C11H12N2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 2,6-dimethyl-8H-pyrido[2,3-c]azepine.

Molecular Properties

Compound Name2,6-dimethyl-8H-pyrido[2,3-c]azepine
PubChem CID131966672
Molecular FormulaC11H12N2
Molecular Weight172.23 g/mol
Exact Mass172.10
IUPAC Name2,6-dimethyl-8H-pyrido[2,3-c]azepine
SMILESCC1=CNC=c2nc(C)ccc2=C1
InChIInChI=1S/C11H12N2/c1-8-5-10-4-3-9(2)13-11(10)7-12-6-8/h3-7,12H,1-2H3
InChIKeyNWSVDGJTFUGQRX-UHFFFAOYSA-N
XLogP0.42
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-8H-pyrido[2,3-c]azepine?
The IUPAC name of 2,6-dimethyl-8H-pyrido[2,3-c]azepine (CID 131966672) is 2,6-dimethyl-8H-pyrido[2,3-c]azepine.
What is the SMILES notation for 2,6-dimethyl-8H-pyrido[2,3-c]azepine?
The canonical SMILES for 2,6-dimethyl-8H-pyrido[2,3-c]azepine is CC1=CNC=c2nc(C)ccc2=C1.
What is the InChIKey of 2,6-dimethyl-8H-pyrido[2,3-c]azepine?
The InChIKey is NWSVDGJTFUGQRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2/c1-8-5-10-4-3-9(2)13-11(10)7-12-6-8/h3-7,12H,1-2H3.
What are the key properties of 2,6-dimethyl-8H-pyrido[2,3-c]azepine?
2,6-dimethyl-8H-pyrido[2,3-c]azepine has a molecular weight of 172.23 g/mol, XLogP of 0.42, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-8H-pyrido[2,3-c]azepine is sourced from PubChem (CID 131966672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).