2-chloroazocine

C7H6ClN — CID 175414598

IUPAC2-chloroazocine
SMILESCl/C1=N/C=CC=CC=C1
InChIInChI=1S/C7H6ClN/c8-7-5-3-1-2-4-6-9-7/h1-6H/b2-1?,3-1?,4-2?,5-3?,6-4?,7-5?,9-6?,9-7+
InChIKeyDCKKCZOTIZIKBI-KNERXKPCSA-N
MW139.58 g/mol
LogP2.26
Rot. Bonds

About 2-chloroazocine

2-chloroazocine (PubChem CID 175414598) has the molecular formula C7H6ClN and a molecular weight of 139.58 g/mol. Its IUPAC name is 2-chloroazocine.

Molecular Properties

Compound Name2-chloroazocine
PubChem CID175414598
Molecular FormulaC7H6ClN
Molecular Weight139.58 g/mol
Exact Mass139.02
IUPAC Name2-chloroazocine
SMILESCl/C1=N/C=CC=CC=C1
InChIInChI=1S/C7H6ClN/c8-7-5-3-1-2-4-6-9-7/h1-6H/b2-1?,3-1?,4-2?,5-3?,6-4?,7-5?,9-6?,9-7+
InChIKeyDCKKCZOTIZIKBI-KNERXKPCSA-N
XLogP2.26
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.58
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Azocine
CID 6451481
Azocine hydrochloride
CID 23216244
CID 53438385
CID 53438385
5-Chloro-1,2-didehydro-1h-azepine
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4-chloro-2H-pyridin-2-ide;iodozinc(1+)
CID 134981701
lithium 6-chloro-3H-pyridin-3-ide
CID 11815336
lithium 5-chloro-2H-pyridin-2-ide
CID 22638503
6-chloro-3H-pyridin-3-ide;yttrium
CID 57538396
2-chloro-4H-pyridin-4-ide;yttrium
CID 58916961
4-chloro-2H-pyridin-2-ide;tungsten
CID 59970159
(7Z)-azocine
CID 66692791
2-Chloro-4-pyridylzinc bromide
CID 71669588

Frequently Asked Questions

What is the IUPAC name of 2-chloroazocine?
The IUPAC name of 2-chloroazocine (CID 175414598) is 2-chloroazocine.
What is the SMILES notation for 2-chloroazocine?
The canonical SMILES for 2-chloroazocine is Cl/C1=N/C=CC=CC=C1.
What is the InChIKey of 2-chloroazocine?
The InChIKey is DCKKCZOTIZIKBI-KNERXKPCSA-N. The full InChI is InChI=1S/C7H6ClN/c8-7-5-3-1-2-4-6-9-7/h1-6H/b2-1?,3-1?,4-2?,5-3?,6-4?,7-5?,9-6?,9-7+.
What are the key properties of 2-chloroazocine?
2-chloroazocine has a molecular weight of 139.58 g/mol, XLogP of 2.26, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloroazocine is sourced from PubChem (CID 175414598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).