5H-pyrido[2,3-c]azepine;dihydrochloride

C9H10Cl2N2 — CID 170312434

IUPAC5H-pyrido[2,3-c]azepine;dihydrochloride
SMILESC1=CN=Cc2ncccc2C1.Cl.Cl
InChIInChI=1S/C9H8N2.2ClH/c1-3-8-4-2-6-11-9(8)7-10-5-1;;/h1-2,4-7H,3H2;2*1H
InChIKeyDIEHAJQIAXBXNK-UHFFFAOYSA-N
MW217.10 g/mol
LogP2.41
Rot. Bonds

About 5H-pyrido[2,3-c]azepine;dihydrochloride

5H-pyrido[2,3-c]azepine;dihydrochloride (PubChem CID 170312434) has the molecular formula C9H10Cl2N2 and a molecular weight of 217.10 g/mol. Its IUPAC name is 5H-pyrido[2,3-c]azepine;dihydrochloride.

Molecular Properties

Compound Name5H-pyrido[2,3-c]azepine;dihydrochloride
PubChem CID170312434
Molecular FormulaC9H10Cl2N2
Molecular Weight217.10 g/mol
Exact Mass216.02
IUPAC Name5H-pyrido[2,3-c]azepine;dihydrochloride
SMILESC1=CN=Cc2ncccc2C1.Cl.Cl
InChIInChI=1S/C9H8N2.2ClH/c1-3-8-4-2-6-11-9(8)7-10-5-1;;/h1-2,4-7H,3H2;2*1H
InChIKeyDIEHAJQIAXBXNK-UHFFFAOYSA-N
XLogP2.41
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.10
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5H-cyclopenta[b]pyridine
CID 575987
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5H-pyrimido[4,5-c]azepine
CID 67370173
1H-pyrido[3,2-e][1,4]diazepine
CID 57124109
4-azatricyclo[9.4.0.03,8]pentadeca-1,3(8),4,6,10,12,14-heptaene
CID 54208249
5,6-dihydroquinoline;ethane
CID 142006347
5H-2-benzazepin-8-ol
CID 123680464
5H-pyrano[4,3-b]pyridine
CID 19831889
12-azabicyclo[9.4.0]pentadeca-1(11),12,14-triene
CID 175984451
6H-quinoline-5-thione
CID 130750241
5,6-dimethyl-4H-azepine
CID 123479096
5H-cyclopenta[c]pyridazine
CID 91473511

Frequently Asked Questions

What is the IUPAC name of 5H-pyrido[2,3-c]azepine;dihydrochloride?
The IUPAC name of 5H-pyrido[2,3-c]azepine;dihydrochloride (CID 170312434) is 5H-pyrido[2,3-c]azepine;dihydrochloride.
What is the SMILES notation for 5H-pyrido[2,3-c]azepine;dihydrochloride?
The canonical SMILES for 5H-pyrido[2,3-c]azepine;dihydrochloride is C1=CN=Cc2ncccc2C1.Cl.Cl.
What is the InChIKey of 5H-pyrido[2,3-c]azepine;dihydrochloride?
The InChIKey is DIEHAJQIAXBXNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2.2ClH/c1-3-8-4-2-6-11-9(8)7-10-5-1;;/h1-2,4-7H,3H2;2*1H.
What are the key properties of 5H-pyrido[2,3-c]azepine;dihydrochloride?
5H-pyrido[2,3-c]azepine;dihydrochloride has a molecular weight of 217.10 g/mol, XLogP of 2.41, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5H-pyrido[2,3-c]azepine;dihydrochloride is sourced from PubChem (CID 170312434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).