CID 67366174

C22H16BN2O2 — CID 67366174

IUPAC—
SMILES[B](Oc1cncc(-c2ccccc2)c1)Oc1cncc(-c2ccccc2)c1
InChIInChI=1S/C22H16BN2O2/c1-3-7-17(8-4-1)19-11-21(15-24-13-19)26-23-27-22-12-20(14-25-16-22)18-9-5-2-6-10-18/h1-16H
InChIKeyUQHSNOWQXSNSNS-UHFFFAOYSA-N
MW351.19 g/mol
LogP4.80
Rot. Bonds6

About CID 67366174

CID 67366174 (PubChem CID 67366174) has the molecular formula C22H16BN2O2 and a molecular weight of 351.19 g/mol.

Molecular Properties

Compound NameCID 67366174
PubChem CID67366174
Molecular FormulaC22H16BN2O2
Molecular Weight351.19 g/mol
Exact Mass351.13
IUPAC Name—
SMILES[B](Oc1cncc(-c2ccccc2)c1)Oc1cncc(-c2ccccc2)c1
InChIInChI=1S/C22H16BN2O2/c1-3-7-17(8-4-1)19-11-21(15-24-13-19)26-23-27-22-12-20(14-25-16-22)18-9-5-2-6-10-18/h1-16H
InChIKeyUQHSNOWQXSNSNS-UHFFFAOYSA-N
XLogP4.80
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.19
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

phenoxy-(5-phenyl-3-pyridinyl)borinic acid
CID 155668747
5-phenylpyridin-3-ol
CID 2762902
3-phenyl-5-[10-(5-phenyl-3-pyridinyl)anthracen-9-yl]pyridine
CID 88908908
5-phenyl-N-(5-phenyl-3-pyridinyl)pyridin-3-amine
CID 146533965
3-[[(2S)-azetidin-2-yl]methoxy]-5-phenylpyridine
CID 22872635
[5-(3-phenylphenyl)-3-pyridinyl]boronic acid
CID 141281758
(5-phenyl-3-pyridinyl)borinic acid
CID 143745833
3-[3-[3-[3-phenyl-5-[3-[3-(5-pyridin-3-yl-3-pyridinyl)phenyl]phenyl]phenyl]phenyl]phenyl]-5-pyridin-3-ylpyridine
CID 155116854
potassium trifluoro-(5-phenyl-3-pyridinyl)boranuide
CID 135004117
3-phenyl-5-[1-[(2R)-pyrrolidin-2-yl]ethoxy]pyridine
CID 67605318
3-(difluoromethoxy)-5-pyridin-3-ylpyridine
CID 46316889
(1S)-1-(5-phenyl-3-pyridinyl)ethanamine
CID 96702221

Frequently Asked Questions

What is the IUPAC name of CID 67366174?
The IUPAC name of CID 67366174 (CID 67366174) is not available.
What is the SMILES notation for CID 67366174?
The canonical SMILES for CID 67366174 is [B](Oc1cncc(-c2ccccc2)c1)Oc1cncc(-c2ccccc2)c1.
What is the InChIKey of CID 67366174?
The InChIKey is UQHSNOWQXSNSNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16BN2O2/c1-3-7-17(8-4-1)19-11-21(15-24-13-19)26-23-27-22-12-20(14-25-16-22)18-9-5-2-6-10-18/h1-16H.
What are the key properties of CID 67366174?
CID 67366174 has a molecular weight of 351.19 g/mol, XLogP of 4.80, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 67366174 is sourced from PubChem (CID 67366174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).