CID 174116029

C18H11B3N2O — CID 174116029

IUPAC—
SMILES[B]C([B])([B])c1ccc2c(n1)oc1c(-c3ccc(C)cn3)cccc12
InChIInChI=1S/C18H11B3N2O/c1-10-5-7-14(22-9-10)13-4-2-3-11-12-6-8-15(18(19,20)21)23-17(12)24-16(11)13/h2-9H,1H3
InChIKeyZBGDBGSUCSCKHW-UHFFFAOYSA-N
MW303.74 g/mol
LogP2.97
Rot. Bonds2

About CID 174116029

CID 174116029 (PubChem CID 174116029) has the molecular formula C18H11B3N2O and a molecular weight of 303.74 g/mol.

Molecular Properties

Compound NameCID 174116029
PubChem CID174116029
Molecular FormulaC18H11B3N2O
Molecular Weight303.74 g/mol
Exact Mass304.12
IUPAC Name—
SMILES[B]C([B])([B])c1ccc2c(n1)oc1c(-c3ccc(C)cn3)cccc12
InChIInChI=1S/C18H11B3N2O/c1-10-5-7-14(22-9-10)13-4-2-3-11-12-6-8-15(18(19,20)21)23-17(12)24-16(11)13/h2-9H,1H3
InChIKeyZBGDBGSUCSCKHW-UHFFFAOYSA-N
XLogP2.97
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.74
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze CID 174116029 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

2-(2,6-dimethylphenyl)-8-[5-(trideuteriomethyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
CID 168828023
8-(5-methyl-2-pyridinyl)-2-(1,2,2-trideuteriocyclopentyl)-[1]benzofuro[2,3-b]pyridine
CID 157323519
2-tert-butyl-8-[4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
CID 155611964
8-(5-ethyl-2-pyridinyl)-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine
CID 140791475
5-methyl-2-naphthalen-1-ylpyridine
CID 59742245
2-[2,6-di(propan-2-yl)phenyl]-8-(4-methyl-5-propan-2-yl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine
CID 168827491
2-methyl-8-[5-methyl-4-(3-methylbutan-2-yl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
CID 166498835
2-methyl-8-[4-methyl-6-[2-[4-methyl-6-(4-methylphenyl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
CID 140742099
8-[5-(3,5-dimethylcyclohexyl)-2-pyridinyl]-2-(2,6-dimethylphenyl)-[1]benzofuro[2,3-b]pyridine
CID 168827967
[4-(2-deuteriopropan-2-yl)-6-(2-methyl-[1]benzofuro[2,3-b]pyridin-8-yl)-3-pyridinyl]-trimethylgermane
CID 170531828
2-(1,2-dimethyl-[1]benzothiolo[5,6-b][1]benzofuran-8-yl)-5-methylpyridine
CID 168829951
2-methyl-8-(3-methylthieno[3,2-c]pyridin-6-yl)-[1]benzofuro[2,3-b]pyridine
CID 168828065

Frequently Asked Questions

What is the IUPAC name of CID 174116029?
The IUPAC name of CID 174116029 (CID 174116029) is not available.
What is the SMILES notation for CID 174116029?
The canonical SMILES for CID 174116029 is [B]C([B])([B])c1ccc2c(n1)oc1c(-c3ccc(C)cn3)cccc12.
What is the InChIKey of CID 174116029?
The InChIKey is ZBGDBGSUCSCKHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11B3N2O/c1-10-5-7-14(22-9-10)13-4-2-3-11-12-6-8-15(18(19,20)21)23-17(12)24-16(11)13/h2-9H,1H3.
What are the key properties of CID 174116029?
CID 174116029 has a molecular weight of 303.74 g/mol, XLogP of 2.97, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174116029 is sourced from PubChem (CID 174116029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).