4H-cyclohepta[c]pyridine

C10H9N — CID 57168320

IUPAC4H-cyclohepta[c]pyridine
SMILESC1=CC=C2CC=NC=C2C=C1
InChIInChI=1S/C10H9N/c1-2-4-9-6-7-11-8-10(9)5-3-1/h1-5,7-8H,6H2
InChIKeyAZNYUIVHUOWXBP-UHFFFAOYSA-N
MW143.19 g/mol
LogP2.40
Rot. Bonds

About 4H-cyclohepta[c]pyridine

4H-cyclohepta[c]pyridine (PubChem CID 57168320) has the molecular formula C10H9N and a molecular weight of 143.19 g/mol. Its IUPAC name is 4H-cyclohepta[c]pyridine.

Molecular Properties

Compound Name4H-cyclohepta[c]pyridine
PubChem CID57168320
Molecular FormulaC10H9N
Molecular Weight143.19 g/mol
Exact Mass143.07
IUPAC Name4H-cyclohepta[c]pyridine
SMILESC1=CC=C2CC=NC=C2C=C1
InChIInChI=1S/C10H9N/c1-2-4-9-6-7-11-8-10(9)5-3-1/h1-5,7-8H,6H2
InChIKeyAZNYUIVHUOWXBP-UHFFFAOYSA-N
XLogP2.40
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 ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4H-cyclohepta[c]pyridine?
The IUPAC name of 4H-cyclohepta[c]pyridine (CID 57168320) is 4H-cyclohepta[c]pyridine.
What is the SMILES notation for 4H-cyclohepta[c]pyridine?
The canonical SMILES for 4H-cyclohepta[c]pyridine is C1=CC=C2CC=NC=C2C=C1.
What is the InChIKey of 4H-cyclohepta[c]pyridine?
The InChIKey is AZNYUIVHUOWXBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N/c1-2-4-9-6-7-11-8-10(9)5-3-1/h1-5,7-8H,6H2.
What are the key properties of 4H-cyclohepta[c]pyridine?
4H-cyclohepta[c]pyridine has a molecular weight of 143.19 g/mol, XLogP of 2.40, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4H-cyclohepta[c]pyridine is sourced from PubChem (CID 57168320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).