CID 131858610

C6H6NO — CID 131858610

IUPAC—
SMILESO[CH]c1cccnc1
InChIInChI=1S/C6H6NO/c8-5-6-2-1-3-7-4-6/h1-5,8H
InChIKeyPYCOUHNGTMRGGY-UHFFFAOYSA-N
MW108.12 g/mol
LogP0.96
Rot. Bonds1

About CID 131858610

CID 131858610 (PubChem CID 131858610) has the molecular formula C6H6NO and a molecular weight of 108.12 g/mol.

Molecular Properties

Compound NameCID 131858610
PubChem CID131858610
Molecular FormulaC6H6NO
Molecular Weight108.12 g/mol
Exact Mass108.04
IUPAC Name—
SMILESO[CH]c1cccnc1
InChIInChI=1S/C6H6NO/c8-5-6-2-1-3-7-4-6/h1-5,8H
InChIKeyPYCOUHNGTMRGGY-UHFFFAOYSA-N
XLogP0.96
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.12
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze CID 131858610 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(E)-2-pyridin-3-ylethenyl]pyridine;zinc
CID 175746701
3-[(E)-2-[3,5-bis[(E)-2-pyridin-3-ylethenyl]phenyl]ethenyl]pyridine
CID 175663425
bis(dihydroxy(oxo)phosphanium);2-pyridin-3-ylethenol
CID 159880051
pyridine-3-carbaldehyde;hydrate;hydrochloride
CID 87987230
hydrazine;pyridine-3-carbaldehyde
CID 174684947
3-[(1Z)-2-methylbuta-1,3-dienyl]pyridine
CID 45079882
2,3,5,6-tetrakis[(E)-2-pyridin-3-ylethenyl]pyrazine
CID 19937846
3-(4-phenylbuta-1,3-dienyl)pyridine
CID 71359861
3-[(1Z)-4-methylpenta-1,3-dienyl]pyridine
CID 143368310
3-[(Z)-2-pyridin-3-ylethenyl]phenol
CID 70505429
[(E)-2-pyridin-3-ylethenyl] thiohypochlorite
CID 142599009
3-[(Z)-2-fluoro-2-phenylethenyl]pyridine
CID 141385895

Frequently Asked Questions

What is the IUPAC name of CID 131858610?
The IUPAC name of CID 131858610 (CID 131858610) is not available.
What is the SMILES notation for CID 131858610?
The canonical SMILES for CID 131858610 is O[CH]c1cccnc1.
What is the InChIKey of CID 131858610?
The InChIKey is PYCOUHNGTMRGGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6NO/c8-5-6-2-1-3-7-4-6/h1-5,8H.
What are the key properties of CID 131858610?
CID 131858610 has a molecular weight of 108.12 g/mol, XLogP of 0.96, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 131858610 is sourced from PubChem (CID 131858610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).