CID 175688033

C6H4BrFHoN — CID 175688033

IUPAC—
SMILESC=C1C=N[C](F)C(Br)=C1.[Ho]
InChIInChI=1S/C6H4BrFN.Ho/c1-4-2-5(7)6(8)9-3-4;/h2-3H,1H2;
InChIKeyQNYGJWLYOZJHEH-UHFFFAOYSA-N
MW353.94 g/mol
LogP2.36
Rot. Bonds

About CID 175688033

CID 175688033 (PubChem CID 175688033) has the molecular formula C6H4BrFHoN and a molecular weight of 353.94 g/mol.

Molecular Properties

Compound NameCID 175688033
PubChem CID175688033
Molecular FormulaC6H4BrFHoN
Molecular Weight353.94 g/mol
Exact Mass352.88
IUPAC Name—
SMILESC=C1C=N[C](F)C(Br)=C1.[Ho]
InChIInChI=1S/C6H4BrFN.Ho/c1-4-2-5(7)6(8)9-3-4;/h2-3H,1H2;
InChIKeyQNYGJWLYOZJHEH-UHFFFAOYSA-N
XLogP2.36
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.94
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

3-bromo-2-fluoro-5-methylidene-2H-pyridine
CID 176537407
5-bromo-3-methylidene-2H-pyridine
CID 167214126
3-Bromo-2-fluoro-5-methylidenepyridin-2-ide;holmium
CID 163342267
CID 175688034
CID 175688034

Frequently Asked Questions

What is the IUPAC name of CID 175688033?
The IUPAC name of CID 175688033 (CID 175688033) is not available.
What is the SMILES notation for CID 175688033?
The canonical SMILES for CID 175688033 is C=C1C=N[C](F)C(Br)=C1.[Ho].
What is the InChIKey of CID 175688033?
The InChIKey is QNYGJWLYOZJHEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BrFN.Ho/c1-4-2-5(7)6(8)9-3-4;/h2-3H,1H2;.
What are the key properties of CID 175688033?
CID 175688033 has a molecular weight of 353.94 g/mol, XLogP of 2.36, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175688033 is sourced from PubChem (CID 175688033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).