CID 176669589

C7H10BFN2 — CID 176669589

IUPAC—
SMILES[B]CC1C=NC(CF)=CN1C
InChIInChI=1S/C7H10BFN2/c1-11-5-6(3-9)10-4-7(11)2-8/h4-5,7H,2-3H2,1H3
InChIKeyVQNARQFTUGWRRD-UHFFFAOYSA-N
MW151.98 g/mol
LogP0.77
Rot. Bonds2

About CID 176669589

CID 176669589 (PubChem CID 176669589) has the molecular formula C7H10BFN2 and a molecular weight of 151.98 g/mol.

Molecular Properties

Compound NameCID 176669589
PubChem CID176669589
Molecular FormulaC7H10BFN2
Molecular Weight151.98 g/mol
Exact Mass152.09
IUPAC Name—
SMILES[B]CC1C=NC(CF)=CN1C
InChIInChI=1S/C7H10BFN2/c1-11-5-6(3-9)10-4-7(11)2-8/h4-5,7H,2-3H2,1H3
InChIKeyVQNARQFTUGWRRD-UHFFFAOYSA-N
XLogP0.77
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.98
LogP ≤ 50.77
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

1,5-dimethyl-2-(trifluoromethyl)-2H-pyrazine
CID 135268111
1,5-dimethyl-2H-pyrazine
CID 20164412
1,2,6-trimethyl-2H-pyrazine
CID 90433233
2-ethyl-1,5-dimethyl-2H-pyrazine
CID 118312355
1,2,5-trimethyl-2H-pyrazine
CID 132077530

Frequently Asked Questions

What is the IUPAC name of CID 176669589?
The IUPAC name of CID 176669589 (CID 176669589) is not available.
What is the SMILES notation for CID 176669589?
The canonical SMILES for CID 176669589 is [B]CC1C=NC(CF)=CN1C.
What is the InChIKey of CID 176669589?
The InChIKey is VQNARQFTUGWRRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10BFN2/c1-11-5-6(3-9)10-4-7(11)2-8/h4-5,7H,2-3H2,1H3.
What are the key properties of CID 176669589?
CID 176669589 has a molecular weight of 151.98 g/mol, XLogP of 0.77, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 176669589 is sourced from PubChem (CID 176669589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).