CID 164677477

C14H9ClN — CID 164677477

IUPAC—
SMILESClc1ccc2nc([C]3[CH][CH][CH][CH]3)ccc2c1
InChIInChI=1S/C14H9ClN/c15-12-6-8-14-11(9-12)5-7-13(16-14)10-3-1-2-4-10/h1-9H
InChIKeyOORYATOQEASWEI-UHFFFAOYSA-N
MW226.69 g/mol
LogP3.64
Rot. Bonds1

About CID 164677477

CID 164677477 (PubChem CID 164677477) has the molecular formula C14H9ClN and a molecular weight of 226.69 g/mol.

Molecular Properties

Compound NameCID 164677477
PubChem CID164677477
Molecular FormulaC14H9ClN
Molecular Weight226.69 g/mol
Exact Mass226.04
IUPAC Name—
SMILESClc1ccc2nc([C]3[CH][CH][CH][CH]3)ccc2c1
InChIInChI=1S/C14H9ClN/c15-12-6-8-14-11(9-12)5-7-13(16-14)10-3-1-2-4-10/h1-9H
InChIKeyOORYATOQEASWEI-UHFFFAOYSA-N
XLogP3.64
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.69
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of CID 164677477?
The IUPAC name of CID 164677477 (CID 164677477) is not available.
What is the SMILES notation for CID 164677477?
The canonical SMILES for CID 164677477 is Clc1ccc2nc([C]3[CH][CH][CH][CH]3)ccc2c1.
What is the InChIKey of CID 164677477?
The InChIKey is OORYATOQEASWEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClN/c15-12-6-8-14-11(9-12)5-7-13(16-14)10-3-1-2-4-10/h1-9H.
What are the key properties of CID 164677477?
CID 164677477 has a molecular weight of 226.69 g/mol, XLogP of 3.64, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 164677477 is sourced from PubChem (CID 164677477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).