CID 89392934

C9H7BFN3 — CID 89392934

IUPAC—
SMILES[B]c1ccc(F)c(Cn2cncn2)c1
InChIInChI=1S/C9H7BFN3/c10-8-1-2-9(11)7(3-8)4-14-6-12-5-13-14/h1-3,5-6H,4H2
InChIKeyXDOZTOOQVXSAOW-UHFFFAOYSA-N
MW186.99 g/mol
LogP0.26
Rot. Bonds2

About CID 89392934

CID 89392934 (PubChem CID 89392934) has the molecular formula C9H7BFN3 and a molecular weight of 186.99 g/mol.

Molecular Properties

Compound NameCID 89392934
PubChem CID89392934
Molecular FormulaC9H7BFN3
Molecular Weight186.99 g/mol
Exact Mass187.07
IUPAC Name—
SMILES[B]c1ccc(F)c(Cn2cncn2)c1
InChIInChI=1S/C9H7BFN3/c10-8-1-2-9(11)7(3-8)4-14-6-12-5-13-14/h1-3,5-6H,4H2
InChIKeyXDOZTOOQVXSAOW-UHFFFAOYSA-N
XLogP0.26
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.99
LogP ≤ 50.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze CID 89392934 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

1-[(4-chloro-3-fluorophenyl)methyl]-1,2,4-triazole
CID 107887752
5-fluoro-2-(1,2,4-triazol-1-ylmethyl)benzoic acid
CID 63292739
3-[5-fluoro-2-(1,2,4-triazol-1-ylmethyl)phenyl]prop-2-yn-1-ol
CID 54970141
1-[2-(2,4-difluorophenyl)ethyl]-1,2,4-triazole
CID 70517867
3-bromo-4-(1,2,4-triazol-1-ylmethyl)aniline
CID 60791193
3-(2-fluorophenyl)-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide
CID 87031833
1,4,7-trifluoro-2-(1,2,4-triazol-1-ylmethyl)-9H-carbazole
CID 54322529
4,5,6-trifluoro-2-(1,2,4-triazol-1-ylmethyl)pyrimidine
CID 164652226
3-[3-fluoro-4-(1,2,4-triazol-1-ylmethyl)phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 139532683
2,6-bis(1,2,4-triazol-1-ylmethyl)pyridine
CID 102265098
1-[[3-(4-fluorophenyl)phenyl]methyl]-1,2,4-triazole
CID 23585776
2-fluoro-3-(1,2,4-triazol-1-ylmethyl)benzenecarboximidamide
CID 107118050

Frequently Asked Questions

What is the IUPAC name of CID 89392934?
The IUPAC name of CID 89392934 (CID 89392934) is not available.
What is the SMILES notation for CID 89392934?
The canonical SMILES for CID 89392934 is [B]c1ccc(F)c(Cn2cncn2)c1.
What is the InChIKey of CID 89392934?
The InChIKey is XDOZTOOQVXSAOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BFN3/c10-8-1-2-9(11)7(3-8)4-14-6-12-5-13-14/h1-3,5-6H,4H2.
What are the key properties of CID 89392934?
CID 89392934 has a molecular weight of 186.99 g/mol, XLogP of 0.26, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 89392934 is sourced from PubChem (CID 89392934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).