CID 163233329

C7H4BFN2 — CID 163233329

IUPAC—
SMILES[B]c1cc(F)c2cn[nH]c2c1
InChIInChI=1S/C7H4BFN2/c8-4-1-6(9)5-3-10-11-7(5)2-4/h1-3H,(H,10,11)
InChIKeySUKACYFDNAKKBQ-UHFFFAOYSA-N
MW145.93 g/mol
LogP0.50
Rot. Bonds

About CID 163233329

CID 163233329 (PubChem CID 163233329) has the molecular formula C7H4BFN2 and a molecular weight of 145.93 g/mol.

Molecular Properties

Compound NameCID 163233329
PubChem CID163233329
Molecular FormulaC7H4BFN2
Molecular Weight145.93 g/mol
Exact Mass146.05
IUPAC Name—
SMILES[B]c1cc(F)c2cn[nH]c2c1
InChIInChI=1S/C7H4BFN2/c8-4-1-6(9)5-3-10-11-7(5)2-4/h1-3H,(H,10,11)
InChIKeySUKACYFDNAKKBQ-UHFFFAOYSA-N
XLogP0.50
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.93
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-1H-indazol-6-ol
CID 135742426
4-fluoro-6-methyl-1H-indazole
CID 24728805
4-fluoro-1H-indazol-6-amine
CID 24728151
4-fluoro-1H-indazole-6-carbonitrile
CID 53399325
(4-fluoro-1H-indazol-6-yl)boronic acid
CID 74892422
4-bromo-6-fluoro-5-methyl-1H-indazole
CID 139508183
5-(4-fluoro-1H-indazol-6-yl)thiadiazole
CID 171067184
CID 164540031
CID 164540031
5-chloro-4-ethyl-6-fluoro-1H-indazole
CID 139364624
5-fluoro-4-methyl-1H-indazol-6-ol
CID 163233375
6-fluoro-1H-indazole-4-carboxylic acid
CID 24728354
4-bromo-5,6-dichloro-1H-indazole
CID 139345853

Frequently Asked Questions

What is the IUPAC name of CID 163233329?
The IUPAC name of CID 163233329 (CID 163233329) is not available.
What is the SMILES notation for CID 163233329?
The canonical SMILES for CID 163233329 is [B]c1cc(F)c2cn[nH]c2c1.
What is the InChIKey of CID 163233329?
The InChIKey is SUKACYFDNAKKBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BFN2/c8-4-1-6(9)5-3-10-11-7(5)2-4/h1-3H,(H,10,11).
What are the key properties of CID 163233329?
CID 163233329 has a molecular weight of 145.93 g/mol, XLogP of 0.50, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 163233329 is sourced from PubChem (CID 163233329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).