CID 5382536

C12H8N — CID 5382536

IUPAC—
SMILESc1ccc2c(c1)[N]c1ccccc1-2
InChIInChI=1S/C12H8N/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1-8H
InChIKeyBKRRPNHAJPONSH-UHFFFAOYSA-N
MW166.20 g/mol
LogP3.23
Rot. Bonds

About CID 5382536

CID 5382536 (PubChem CID 5382536) has the molecular formula C12H8N and a molecular weight of 166.20 g/mol.

Molecular Properties

Compound NameCID 5382536
PubChem CID5382536
Molecular FormulaC12H8N
Molecular Weight166.20 g/mol
Exact Mass166.07
IUPAC Name—
SMILESc1ccc2c(c1)[N]c1ccccc1-2
InChIInChI=1S/C12H8N/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1-8H
InChIKeyBKRRPNHAJPONSH-UHFFFAOYSA-N
XLogP3.23
TPSA14.10 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.20
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of CID 5382536?
The IUPAC name of CID 5382536 (CID 5382536) is not available.
What is the SMILES notation for CID 5382536?
The canonical SMILES for CID 5382536 is c1ccc2c(c1)[N]c1ccccc1-2.
What is the InChIKey of CID 5382536?
The InChIKey is BKRRPNHAJPONSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1-8H.
What are the key properties of CID 5382536?
CID 5382536 has a molecular weight of 166.20 g/mol, XLogP of 3.23, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 5382536 is sourced from PubChem (CID 5382536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).