CID 164540031

C8H5BFN — CID 164540031

IUPAC—
SMILES[B]c1cc(F)c2cc[nH]c2c1
InChIInChI=1S/C8H5BFN/c9-5-3-7(10)6-1-2-11-8(6)4-5/h1-4,11H
InChIKeyTYYGWKIMJGHPHW-UHFFFAOYSA-N
MW144.94 g/mol
LogP1.10
Rot. Bonds

About CID 164540031

CID 164540031 (PubChem CID 164540031) has the molecular formula C8H5BFN and a molecular weight of 144.94 g/mol.

Molecular Properties

Compound NameCID 164540031
PubChem CID164540031
Molecular FormulaC8H5BFN
Molecular Weight144.94 g/mol
Exact Mass145.05
IUPAC Name—
SMILES[B]c1cc(F)c2cc[nH]c2c1
InChIInChI=1S/C8H5BFN/c9-5-3-7(10)6-1-2-11-8(6)4-5/h1-4,11H
InChIKeyTYYGWKIMJGHPHW-UHFFFAOYSA-N
XLogP1.10
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.94
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze CID 164540031 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

6-fluoro-4-hydroxy-1H-indole-5-carboxylic acid
CID 117274534
5-fluoro-4-methyl-1H-indole
CID 19848907
4-(2,2-difluoroethyl)-6-fluoro-5-methoxy-1H-indole
CID 167505603
ethane;5-fluoro-4-methyl-1H-indole
CID 142062842
5-(3-bromo-4-fluorophenoxy)-6-fluoro-4-methyl-1H-indole
CID 167505847
4-(2,4-difluorophenoxy)-6-methoxy-1H-indole
CID 167433327
4-(2,4-difluorophenyl)-1H-indole
CID 22561815
4-methyl-6-(trifluoromethyl)-1H-indole
CID 70228775
4-methoxy-6-methyl-1H-indole
CID 24728816
N-(4-fluoro-1H-indol-6-yl)-6-(trifluoromethyl)-1H-benzimidazol-2-amine
CID 164539998
CID 145278706
CID 145278706
6-bromo-4-(difluoromethyl)-1H-indole
CID 166541112

Frequently Asked Questions

What is the IUPAC name of CID 164540031?
The IUPAC name of CID 164540031 (CID 164540031) is not available.
What is the SMILES notation for CID 164540031?
The canonical SMILES for CID 164540031 is [B]c1cc(F)c2cc[nH]c2c1.
What is the InChIKey of CID 164540031?
The InChIKey is TYYGWKIMJGHPHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BFN/c9-5-3-7(10)6-1-2-11-8(6)4-5/h1-4,11H.
What are the key properties of CID 164540031?
CID 164540031 has a molecular weight of 144.94 g/mol, XLogP of 1.10, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 164540031 is sourced from PubChem (CID 164540031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).