7H-pyrido[2,3-d]azepine;dihydrochloride

C9H10Cl2N2 — CID 158778136

IUPAC7H-pyrido[2,3-d]azepine;dihydrochloride
SMILESC1=Cc2cccnc2C=CN1.Cl.Cl
InChIInChI=1S/C9H8N2.2ClH/c1-2-8-3-6-10-7-4-9(8)11-5-1;;/h1-7,10H;2*1H
InChIKeyJDVJKCFIFHKMLZ-UHFFFAOYSA-N
MW217.10 g/mol
LogP2.47
Rot. Bonds

About 7H-pyrido[2,3-d]azepine;dihydrochloride

7H-pyrido[2,3-d]azepine;dihydrochloride (PubChem CID 158778136) has the molecular formula C9H10Cl2N2 and a molecular weight of 217.10 g/mol. Its IUPAC name is 7H-pyrido[2,3-d]azepine;dihydrochloride.

Molecular Properties

Compound Name7H-pyrido[2,3-d]azepine;dihydrochloride
PubChem CID158778136
Molecular FormulaC9H10Cl2N2
Molecular Weight217.10 g/mol
Exact Mass216.02
IUPAC Name7H-pyrido[2,3-d]azepine;dihydrochloride
SMILESC1=Cc2cccnc2C=CN1.Cl.Cl
InChIInChI=1S/C9H8N2.2ClH/c1-2-8-3-6-10-7-4-9(8)11-5-1;;/h1-7,10H;2*1H
InChIKeyJDVJKCFIFHKMLZ-UHFFFAOYSA-N
XLogP2.47
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.10
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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11H-pyrido[3,2-b][1]benzazepine
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5,6-dihydro-1,6-naphthyridine-5-carbaldehyde;hydron
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7-methylpyrido[2,3-c]azepin-7-amine
CID 143248604
6,7-dimethyl-7H-cyclohepta[b]pyridine
CID 155713495
1H-pyrido[3,2-e][1,4]diazepine
CID 57124109
thieno[3,2-b]pyridine 1-oxide
CID 57058089
1-sulfanylidenethieno[3,2-b]pyridine
CID 141378113
2,3-dihydropyrido[2,3-f]oxazepine
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CID 68514643

Frequently Asked Questions

What is the IUPAC name of 7H-pyrido[2,3-d]azepine;dihydrochloride?
The IUPAC name of 7H-pyrido[2,3-d]azepine;dihydrochloride (CID 158778136) is 7H-pyrido[2,3-d]azepine;dihydrochloride.
What is the SMILES notation for 7H-pyrido[2,3-d]azepine;dihydrochloride?
The canonical SMILES for 7H-pyrido[2,3-d]azepine;dihydrochloride is C1=Cc2cccnc2C=CN1.Cl.Cl.
What is the InChIKey of 7H-pyrido[2,3-d]azepine;dihydrochloride?
The InChIKey is JDVJKCFIFHKMLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2.2ClH/c1-2-8-3-6-10-7-4-9(8)11-5-1;;/h1-7,10H;2*1H.
What are the key properties of 7H-pyrido[2,3-d]azepine;dihydrochloride?
7H-pyrido[2,3-d]azepine;dihydrochloride has a molecular weight of 217.10 g/mol, XLogP of 2.47, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7H-pyrido[2,3-d]azepine;dihydrochloride is sourced from PubChem (CID 158778136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).