CID 171736783

C11H6BNO — CID 171736783

IUPAC—
SMILES[B]c1cccc2oc3cnccc3c12
InChIInChI=1S/C11H6BNO/c12-8-2-1-3-9-11(8)7-4-5-13-6-10(7)14-9/h1-6H
InChIKeyDVUCZDYGZMSDIV-UHFFFAOYSA-N
MW178.99 g/mol
LogP1.77
Rot. Bonds

About CID 171736783

CID 171736783 (PubChem CID 171736783) has the molecular formula C11H6BNO and a molecular weight of 178.99 g/mol.

Molecular Properties

Compound NameCID 171736783
PubChem CID171736783
Molecular FormulaC11H6BNO
Molecular Weight178.99 g/mol
Exact Mass179.05
IUPAC Name—
SMILES[B]c1cccc2oc3cnccc3c12
InChIInChI=1S/C11H6BNO/c12-8-2-1-3-9-11(8)7-4-5-13-6-10(7)14-9/h1-6H
InChIKeyDVUCZDYGZMSDIV-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

5-bromo-[1]benzofuro[2,3-c]pyridine
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CID 88536732
CID 88536732
5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-[1]benzofuro[2,3-c]pyridine
CID 168785088
17-methyl-9,20-dioxa-6-aza-17-azoniaheptacyclo[13.11.1.12,10.03,8.019,27.021,26.014,28]octacosa-1,3(8),4,6,10,12,14(28),15,17,19(27),21,23,25-tridecaene
CID 118383937
3-methyl-8-oxa-4,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 155076323
ethane;8-oxa-4,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 123322356
N-chromeno[2,3-c]pyridin-5-ylidenehydroxylamine
CID 137205389
5-[5-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-[1]benzofuro[2,3-c]pyridine
CID 168785084
5-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]-[1]benzofuro[2,3-c]pyridine
CID 163838027
N-[4-([1]benzofuro[2,3-c]pyridin-5-yl)phenyl]naphthalen-1-amine
CID 170177712
8-oxa-3,5,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
CID 155155977
chromeno[2,3-c]pyridine-5-thione;diphenylmethanethione;phenyl(pyridin-4-yl)methanethione
CID 160695674

Frequently Asked Questions

What is the IUPAC name of CID 171736783?
The IUPAC name of CID 171736783 (CID 171736783) is not available.
What is the SMILES notation for CID 171736783?
The canonical SMILES for CID 171736783 is [B]c1cccc2oc3cnccc3c12.
What is the InChIKey of CID 171736783?
The InChIKey is DVUCZDYGZMSDIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6BNO/c12-8-2-1-3-9-11(8)7-4-5-13-6-10(7)14-9/h1-6H.
What are the key properties of CID 171736783?
CID 171736783 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 171736783 is sourced from PubChem (CID 171736783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).