4-chloro-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine

C11H14ClN — CID 133056624

IUPAC4-chloro-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine
SMILESClc1ccnc2c1CCCCCC2
InChIInChI=1S/C11H14ClN/c12-10-7-8-13-11-6-4-2-1-3-5-9(10)11/h7-8H,1-6H2
InChIKeyVPHNONLIZCUUSX-UHFFFAOYSA-N
MW195.69 g/mol
LogP3.39
Rot. Bonds

About 4-chloro-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine

4-chloro-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine (PubChem CID 133056624) has the molecular formula C11H14ClN and a molecular weight of 195.69 g/mol. Its IUPAC name is 4-chloro-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine.

Molecular Properties

Compound Name4-chloro-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine
PubChem CID133056624
Molecular FormulaC11H14ClN
Molecular Weight195.69 g/mol
Exact Mass195.08
IUPAC Name4-chloro-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine
SMILESClc1ccnc2c1CCCCCC2
InChIInChI=1S/C11H14ClN/c12-10-7-8-13-11-6-4-2-1-3-5-9(10)11/h7-8H,1-6H2
InChIKeyVPHNONLIZCUUSX-UHFFFAOYSA-N
XLogP3.39
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.69
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine?
The IUPAC name of 4-chloro-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine (CID 133056624) is 4-chloro-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine.
What is the SMILES notation for 4-chloro-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine?
The canonical SMILES for 4-chloro-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine is Clc1ccnc2c1CCCCCC2.
What is the InChIKey of 4-chloro-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine?
The InChIKey is VPHNONLIZCUUSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN/c12-10-7-8-13-11-6-4-2-1-3-5-9(10)11/h7-8H,1-6H2.
What are the key properties of 4-chloro-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine?
4-chloro-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine has a molecular weight of 195.69 g/mol, XLogP of 3.39, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine is sourced from PubChem (CID 133056624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).