CID 88918403

C5H2B2FN — CID 88918403

IUPAC—
SMILES[B]c1cnc([B])c(F)c1
InChIInChI=1S/C5H2B2FN/c6-3-1-4(8)5(7)9-2-3/h1-2H
InChIKeyCVURFSGNZLREHF-UHFFFAOYSA-N
MW116.70 g/mol
LogP-1.19
Rot. Bonds

About CID 88918403

CID 88918403 (PubChem CID 88918403) has the molecular formula C5H2B2FN and a molecular weight of 116.70 g/mol.

Molecular Properties

Compound NameCID 88918403
PubChem CID88918403
Molecular FormulaC5H2B2FN
Molecular Weight116.70 g/mol
Exact Mass117.04
IUPAC Name—
SMILES[B]c1cnc([B])c(F)c1
InChIInChI=1S/C5H2B2FN/c6-3-1-4(8)5(7)9-2-3/h1-2H
InChIKeyCVURFSGNZLREHF-UHFFFAOYSA-N
XLogP-1.19
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.70
LogP ≤ 5-1.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Pyridine
CID 1049
Pyridine-D5
CID 558519
3,5-Dimethylpyridine
CID 11565
Pyridinium chloride
CID 10176127
Pyridine-borane
CID 123022
2-Fluoropyridine
CID 9746
N-Methylpyridinium
CID 13597
4-Bromo-2-fluoropyridine
CID 2762851
(6-Fluoropyridin-3-yl)boronic acid
CID 2783397
3-Pyridinylboronic acid
CID 2734378
2-(Difluoromethyl)pyridine
CID 639501
3-(Difluoromethyl)pyridine
CID 640475

Frequently Asked Questions

What is the IUPAC name of CID 88918403?
The IUPAC name of CID 88918403 (CID 88918403) is not available.
What is the SMILES notation for CID 88918403?
The canonical SMILES for CID 88918403 is [B]c1cnc([B])c(F)c1.
What is the InChIKey of CID 88918403?
The InChIKey is CVURFSGNZLREHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2B2FN/c6-3-1-4(8)5(7)9-2-3/h1-2H.
What are the key properties of CID 88918403?
CID 88918403 has a molecular weight of 116.70 g/mol, XLogP of -1.19, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 88918403 is sourced from PubChem (CID 88918403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).