2H-cyclohepta[b]pyridine

C10H9N — CID 57139043

IUPAC2H-cyclohepta[b]pyridine
SMILESC1=CC=C2C=CCN=C2C=C1
InChIInChI=1S/C10H9N/c1-2-5-9-6-4-8-11-10(9)7-3-1/h1-7H,8H2
InChIKeyYFEHIGJNUZDVRH-UHFFFAOYSA-N
MW143.19 g/mol
LogP2.05
Rot. Bonds

About 2H-cyclohepta[b]pyridine

2H-cyclohepta[b]pyridine (PubChem CID 57139043) has the molecular formula C10H9N and a molecular weight of 143.19 g/mol. Its IUPAC name is 2H-cyclohepta[b]pyridine.

Molecular Properties

Compound Name2H-cyclohepta[b]pyridine
PubChem CID57139043
Molecular FormulaC10H9N
Molecular Weight143.19 g/mol
Exact Mass143.07
IUPAC Name2H-cyclohepta[b]pyridine
SMILESC1=CC=C2C=CCN=C2C=C1
InChIInChI=1S/C10H9N/c1-2-5-9-6-4-8-11-10(9)7-3-1/h1-7H,8H2
InChIKeyYFEHIGJNUZDVRH-UHFFFAOYSA-N
XLogP2.05
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2H-cyclohepta[b]pyridine?
The IUPAC name of 2H-cyclohepta[b]pyridine (CID 57139043) is 2H-cyclohepta[b]pyridine.
What is the SMILES notation for 2H-cyclohepta[b]pyridine?
The canonical SMILES for 2H-cyclohepta[b]pyridine is C1=CC=C2C=CCN=C2C=C1.
What is the InChIKey of 2H-cyclohepta[b]pyridine?
The InChIKey is YFEHIGJNUZDVRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N/c1-2-5-9-6-4-8-11-10(9)7-3-1/h1-7H,8H2.
What are the key properties of 2H-cyclohepta[b]pyridine?
2H-cyclohepta[b]pyridine has a molecular weight of 143.19 g/mol, XLogP of 2.05, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-cyclohepta[b]pyridine is sourced from PubChem (CID 57139043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).