7-pyridin-3-yl-2H-azepine

C11H10N2 — CID 174357758

IUPAC7-pyridin-3-yl-2H-azepine
SMILESC1=CCN=C(c2cccnc2)C=C1
InChIInChI=1S/C11H10N2/c1-2-6-11(13-8-3-1)10-5-4-7-12-9-10/h1-7,9H,8H2
InChIKeyOXMWRZQJYFLBIS-UHFFFAOYSA-N
MW170.22 g/mol
LogP2.00
Rot. Bonds1

About 7-pyridin-3-yl-2H-azepine

7-pyridin-3-yl-2H-azepine (PubChem CID 174357758) has the molecular formula C11H10N2 and a molecular weight of 170.22 g/mol. Its IUPAC name is 7-pyridin-3-yl-2H-azepine.

Molecular Properties

Compound Name7-pyridin-3-yl-2H-azepine
PubChem CID174357758
Molecular FormulaC11H10N2
Molecular Weight170.22 g/mol
Exact Mass170.08
IUPAC Name7-pyridin-3-yl-2H-azepine
SMILESC1=CCN=C(c2cccnc2)C=C1
InChIInChI=1S/C11H10N2/c1-2-6-11(13-8-3-1)10-5-4-7-12-9-10/h1-7,9H,8H2
InChIKeyOXMWRZQJYFLBIS-UHFFFAOYSA-N
XLogP2.00
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.22
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,3-dihydroazecin-10-yl)azecine
CID 90946950
3-pyridin-3-yl-1,6-dihydropyridazine
CID 142411024
5-pyridin-3-yl-3-(2H-pyrrol-5-yl)-1H-pyrazolo[3,4-c]pyridine
CID 161100284
cyclopenta[c]azepine
CID 638010
3-azulen-6-ylpyridine
CID 86232079
3-(3,5-dimethyl-2H-pyrrol-4-yl)pyridine
CID 138565141
bis(2-methylpropane);3-pyridin-3-ylpyridine
CID 158581875
1-phenyl-6-pyridin-3-yl-3,4-dihydropyrrolo[1,2-a]pyrazine
CID 11184894
2-(2H-pyrrol-5-yl)phenol
CID 136677694
3-[5-[5-[5-(5-pyridin-3-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]pyridine
CID 102393188
2,6-dipyridin-3-ylpyridine
CID 13349632
3-(3,5-diphenylphenyl)pyridine
CID 141411458

Frequently Asked Questions

What is the IUPAC name of 7-pyridin-3-yl-2H-azepine?
The IUPAC name of 7-pyridin-3-yl-2H-azepine (CID 174357758) is 7-pyridin-3-yl-2H-azepine.
What is the SMILES notation for 7-pyridin-3-yl-2H-azepine?
The canonical SMILES for 7-pyridin-3-yl-2H-azepine is C1=CCN=C(c2cccnc2)C=C1.
What is the InChIKey of 7-pyridin-3-yl-2H-azepine?
The InChIKey is OXMWRZQJYFLBIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2/c1-2-6-11(13-8-3-1)10-5-4-7-12-9-10/h1-7,9H,8H2.
What are the key properties of 7-pyridin-3-yl-2H-azepine?
7-pyridin-3-yl-2H-azepine has a molecular weight of 170.22 g/mol, XLogP of 2.00, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-pyridin-3-yl-2H-azepine is sourced from PubChem (CID 174357758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).