1-pyridin-2-yl-5H-cyclohepta[b]pyrrole

C14H12N2 — CID 142181898

IUPAC1-pyridin-2-yl-5H-cyclohepta[b]pyrrole
SMILESC1=CCC=c2ccn(-c3ccccn3)c2=C1
InChIInChI=1S/C14H12N2/c1-2-6-12-9-11-16(13(12)7-3-1)14-8-4-5-10-15-14/h1,3-11H,2H2
InChIKeyOLJSCBDCEPAIQB-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.39
Rot. Bonds1

About 1-pyridin-2-yl-5H-cyclohepta[b]pyrrole

1-pyridin-2-yl-5H-cyclohepta[b]pyrrole (PubChem CID 142181898) has the molecular formula C14H12N2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 1-pyridin-2-yl-5H-cyclohepta[b]pyrrole.

Molecular Properties

Compound Name1-pyridin-2-yl-5H-cyclohepta[b]pyrrole
PubChem CID142181898
Molecular FormulaC14H12N2
Molecular Weight208.26 g/mol
Exact Mass208.10
IUPAC Name1-pyridin-2-yl-5H-cyclohepta[b]pyrrole
SMILESC1=CCC=c2ccn(-c3ccccn3)c2=C1
InChIInChI=1S/C14H12N2/c1-2-6-12-9-11-16(13(12)7-3-1)14-8-4-5-10-15-14/h1,3-11H,2H2
InChIKeyOLJSCBDCEPAIQB-UHFFFAOYSA-N
XLogP1.39
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-pyridin-2-yl-5H-cyclohepta[b]pyrrole?
The IUPAC name of 1-pyridin-2-yl-5H-cyclohepta[b]pyrrole (CID 142181898) is 1-pyridin-2-yl-5H-cyclohepta[b]pyrrole.
What is the SMILES notation for 1-pyridin-2-yl-5H-cyclohepta[b]pyrrole?
The canonical SMILES for 1-pyridin-2-yl-5H-cyclohepta[b]pyrrole is C1=CCC=c2ccn(-c3ccccn3)c2=C1.
What is the InChIKey of 1-pyridin-2-yl-5H-cyclohepta[b]pyrrole?
The InChIKey is OLJSCBDCEPAIQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2/c1-2-6-12-9-11-16(13(12)7-3-1)14-8-4-5-10-15-14/h1,3-11H,2H2.
What are the key properties of 1-pyridin-2-yl-5H-cyclohepta[b]pyrrole?
1-pyridin-2-yl-5H-cyclohepta[b]pyrrole has a molecular weight of 208.26 g/mol, XLogP of 1.39, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-2-yl-5H-cyclohepta[b]pyrrole is sourced from PubChem (CID 142181898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).