CID 163488204

C8H8BN — CID 163488204

IUPAC—
SMILES[B]c1nccc(C)c1C=C
InChIInChI=1S/C8H8BN/c1-3-7-6(2)4-5-10-8(7)9/h3-5H,1H2,2H3
InChIKeyAFHCFJCJXJKGNB-UHFFFAOYSA-N
MW128.97 g/mol
LogP0.83
Rot. Bonds1

About CID 163488204

CID 163488204 (PubChem CID 163488204) has the molecular formula C8H8BN and a molecular weight of 128.97 g/mol.

Molecular Properties

Compound NameCID 163488204
PubChem CID163488204
Molecular FormulaC8H8BN
Molecular Weight128.97 g/mol
Exact Mass129.07
IUPAC Name—
SMILES[B]c1nccc(C)c1C=C
InChIInChI=1S/C8H8BN/c1-3-7-6(2)4-5-10-8(7)9/h3-5H,1H2,2H3
InChIKeyAFHCFJCJXJKGNB-UHFFFAOYSA-N
XLogP0.83
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.97
LogP ≤ 50.83
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

2,3-bis(ethenyl)-4-methylpyridine;ethane;propane
CID 155736263
3-ethenyl-2-ethoxy-4-methylpyridine
CID 74889642
3-ethenyl-4-methyl-2-nitropyridine
CID 74888397
ethane;2-ethenyl-1,3,4-trimethylbenzene
CID 145148540
acetylene;2-ethenyl-1,3-dimethylbenzene
CID 142972019
2-ethenyl-3,6-dimethylbenzenethiol
CID 143494657
ethane;2-ethenyl-4-methyl-3-methylsulfanylpyridine
CID 162760152
(2-ethenyl-4-methyl-3-pyridinyl)methanol
CID 74888484
ethane;2-ethoxy-4-methylpyridine-3-carbaldehyde
CID 143458093
3-chloro-2,4-dimethylpyridine
CID 12508368
buta-1,3-diene;2,3-dimethylpyridine;ethane
CID 145249818
2,3-bis(ethenyl)pyridin-4-amine
CID 142923190

Frequently Asked Questions

What is the IUPAC name of CID 163488204?
The IUPAC name of CID 163488204 (CID 163488204) is not available.
What is the SMILES notation for CID 163488204?
The canonical SMILES for CID 163488204 is [B]c1nccc(C)c1C=C.
What is the InChIKey of CID 163488204?
The InChIKey is AFHCFJCJXJKGNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BN/c1-3-7-6(2)4-5-10-8(7)9/h3-5H,1H2,2H3.
What are the key properties of CID 163488204?
CID 163488204 has a molecular weight of 128.97 g/mol, XLogP of 0.83, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 163488204 is sourced from PubChem (CID 163488204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).