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

C11H14N2 — CID 143294948

IUPACethane;6H-pyrido[2,3-b]azepine
SMILESC1=CN=c2ncccc2=CC1.CC
InChIInChI=1S/C9H8N2.C2H6/c1-2-6-10-9-8(4-1)5-3-7-11-9;1-2/h2-7H,1H2;1-2H3
InChIKeyPYFCJECHLGFFII-UHFFFAOYSA-N
MW174.25 g/mol
LogP1.43
Rot. Bonds

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

ethane;6H-pyrido[2,3-b]azepine (PubChem CID 143294948) has the molecular formula C11H14N2 and a molecular weight of 174.25 g/mol. Its IUPAC name is ethane;6H-pyrido[2,3-b]azepine.

Molecular Properties

Compound Nameethane;6H-pyrido[2,3-b]azepine
PubChem CID143294948
Molecular FormulaC11H14N2
Molecular Weight174.25 g/mol
Exact Mass174.12
IUPAC Nameethane;6H-pyrido[2,3-b]azepine
SMILESC1=CN=c2ncccc2=CC1.CC
InChIInChI=1S/C9H8N2.C2H6/c1-2-6-10-9-8(4-1)5-3-7-11-9;1-2/h2-7H,1H2;1-2H3
InChIKeyPYFCJECHLGFFII-UHFFFAOYSA-N
XLogP1.43
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.25
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-Dihydro-1,8-naphthyridine
CID 53699458
Tripyrido[2,3-b:2',3'-f:2'',3''-j][1,5,9]triazacyclododecine
CID 91870138
2,8-Diazabicyclo[4.2.0]octa-1(8),2,4,6-tetraene
CID 56972316
(3Z)-3-ethylidene-N-methylpyridin-2-imine
CID 68010675
(3Z)-3-ethylidene-N-[(Z)-3-methylbut-1-enyl]pyridin-2-imine
CID 70306674
6,6-Dimethylcyclohepta[d]pyrimidine
CID 70316666
6,6-Dimethylpyrimido[4,5-b]azepine
CID 70324931
6,6-Dimethylpyrimido[4,5-c]azepine
CID 89075690
6-methyl-6H-cyclohepta[d]pyrimidine
CID 89129896
N-ethenyl-5-ethyl-1-methylpyridin-2-imine
CID 89142774
(4E,5E)-4,5-di(ethylidene)pyrimidine
CID 89264943
(5E)-5-[(Z)-but-2-enylidene]-4-propan-2-ylidenepyrimidine
CID 89385025

Frequently Asked Questions

What is the IUPAC name of ethane;6H-pyrido[2,3-b]azepine?
The IUPAC name of ethane;6H-pyrido[2,3-b]azepine (CID 143294948) is ethane;6H-pyrido[2,3-b]azepine.
What is the SMILES notation for ethane;6H-pyrido[2,3-b]azepine?
The canonical SMILES for ethane;6H-pyrido[2,3-b]azepine is C1=CN=c2ncccc2=CC1.CC.
What is the InChIKey of ethane;6H-pyrido[2,3-b]azepine?
The InChIKey is PYFCJECHLGFFII-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2.C2H6/c1-2-6-10-9-8(4-1)5-3-7-11-9;1-2/h2-7H,1H2;1-2H3.
What are the key properties of ethane;6H-pyrido[2,3-b]azepine?
ethane;6H-pyrido[2,3-b]azepine has a molecular weight of 174.25 g/mol, XLogP of 1.43, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6H-pyrido[2,3-b]azepine is sourced from PubChem (CID 143294948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).