CID 90291971

C11H6BNO — CID 90291971

IUPAC—
SMILES[B]c1ccc2oc3cccnc3c2c1
InChIInChI=1S/C11H6BNO/c12-7-3-4-9-8(6-7)11-10(14-9)2-1-5-13-11/h1-6H
InChIKeyJTPATJWGBISSJO-UHFFFAOYSA-N
MW178.99 g/mol
LogP1.77
Rot. Bonds

About CID 90291971

CID 90291971 (PubChem CID 90291971) has the molecular formula C11H6BNO and a molecular weight of 178.99 g/mol.

Molecular Properties

Compound NameCID 90291971
PubChem CID90291971
Molecular FormulaC11H6BNO
Molecular Weight178.99 g/mol
Exact Mass179.05
IUPAC Name—
SMILES[B]c1ccc2oc3cccnc3c2c1
InChIInChI=1S/C11H6BNO/c12-7-3-4-9-8(6-7)11-10(14-9)2-1-5-13-11/h1-6H
InChIKeyJTPATJWGBISSJO-UHFFFAOYSA-N
XLogP1.77
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.99
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

11-oxa-3-azatricyclo[6.2.1.02,7]undeca-1,3,5,7,9-pentaene
CID 70245532
8-[3-[4-[3-[3-([1]benzofuro[3,2-b]pyridin-8-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-b]pyridine
CID 90265570
CID 153329393
CID 153329393
8-[3-[3-[3-[3-([1]benzofuro[3,2-b]pyridin-8-yl)phenyl]phenyl]sulfanylphenyl]phenyl]-[1]benzofuro[3,2-b]pyridine
CID 90265589
8-(4-methyl-2-pyridinyl)-[1]benzofuro[3,2-b]pyridine
CID 90140837
8-[3-[3-[8-[3-([1]benzofuro[3,2-b]pyridin-8-yl)phenyl]dibenzothiophen-2-yl]phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine
CID 90265559
ethane;8-oxa-3,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 123551658
8-[6-[6-[8-([1]benzofuro[3,2-b]pyridin-8-yl)dibenzofuran-2-yl]-2-pyridinyl]-2-pyridinyl]-[1]benzofuro[3,2-b]pyridine;ethane
CID 144553631
CID 90291993
CID 90291993
8-[4-(4-carbazol-9-ylphenyl)phenyl]-[1]benzofuro[3,2-b]pyridine
CID 122693136
5-(8-oxa-3,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-5-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 167165543
2-dibenzofuran-2-yl-8-[3-(8-dibenzofuran-2-yldibenzofuran-2-yl)phenyl]dibenzofuran;3-dibenzofuran-2-yl-5-(8-dibenzofuran-2-yldibenzofuran-2-yl)pyridine;8-[8-[3-(8-phenyldibenzofuran-2-yl)phenyl]dibenzofuran-2-yl]-[1]benzofuro[3,2-b]pyridine;3-(8-phenyldibenzofuran-2-yl)-5-[8-(8-phenyldibenzofuran-2-yl)dibenzofuran-2-yl]pyridine
CID 159244725

Frequently Asked Questions

What is the IUPAC name of CID 90291971?
The IUPAC name of CID 90291971 (CID 90291971) is not available.
What is the SMILES notation for CID 90291971?
The canonical SMILES for CID 90291971 is [B]c1ccc2oc3cccnc3c2c1.
What is the InChIKey of CID 90291971?
The InChIKey is JTPATJWGBISSJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6BNO/c12-7-3-4-9-8(6-7)11-10(14-9)2-1-5-13-11/h1-6H.
What are the key properties of CID 90291971?
CID 90291971 has a molecular weight of 178.99 g/mol, XLogP of 1.77, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 90291971 is sourced from PubChem (CID 90291971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).