CID 144955277

C8H8B2N2O2 — CID 144955277

IUPAC—
SMILES[B]C([B])(CC(=O)O)Nc1ccccn1
InChIInChI=1S/C8H8B2N2O2/c9-8(10,5-7(13)14)12-6-3-1-2-4-11-6/h1-4H,5H2,(H,11,12)(H,13,14)
InChIKeyXDRDAWXHLRDIFZ-UHFFFAOYSA-N
MW185.79 g/mol
LogP-0.04
Rot. Bonds4

About CID 144955277

CID 144955277 (PubChem CID 144955277) has the molecular formula C8H8B2N2O2 and a molecular weight of 185.79 g/mol.

Molecular Properties

Compound NameCID 144955277
PubChem CID144955277
Molecular FormulaC8H8B2N2O2
Molecular Weight185.79 g/mol
Exact Mass186.08
IUPAC Name—
SMILES[B]C([B])(CC(=O)O)Nc1ccccn1
InChIInChI=1S/C8H8B2N2O2/c9-8(10,5-7(13)14)12-6-3-1-2-4-11-6/h1-4H,5H2,(H,11,12)(H,13,14)
InChIKeyXDRDAWXHLRDIFZ-UHFFFAOYSA-N
XLogP-0.04
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.79
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxypropane-1,2,3-tricarboxylic acid;N-pyridin-2-ylpyridin-2-amine
CID 174947436
2,2-dimethyl-3-(pyridin-2-ylamino)propanoic acid
CID 115136447
N,N'-dipyridin-2-ylbutanediamide
CID 3684644
3-amino-3-methyl-N-pyridin-2-ylbutanamide
CID 64684321
5-(pyridin-2-ylamino)pentanoic acid
CID 18518151
2-[2-oxo-2-(pyridin-2-ylamino)ethoxy]acetic acid
CID 2737830
2-(pyridin-2-ylamino)propan-2-ol
CID 91613794
3,3-dimethyl-N-pyridin-2-ylpentanamide
CID 134494130
3-methyl-4-(pyridin-2-ylamino)butanoic acid
CID 115219759
3-amino-4-oxo-4-(pyridin-2-ylamino)butanoic acid
CID 64895452
pyridine;N-pyridin-2-ylacetamide
CID 67298573
3-[2-oxo-2-(2-pyridin-2-ylhydrazinyl)ethyl]sulfanylpropanoic acid
CID 43352513

Frequently Asked Questions

What is the IUPAC name of CID 144955277?
The IUPAC name of CID 144955277 (CID 144955277) is not available.
What is the SMILES notation for CID 144955277?
The canonical SMILES for CID 144955277 is [B]C([B])(CC(=O)O)Nc1ccccn1.
What is the InChIKey of CID 144955277?
The InChIKey is XDRDAWXHLRDIFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8B2N2O2/c9-8(10,5-7(13)14)12-6-3-1-2-4-11-6/h1-4H,5H2,(H,11,12)(H,13,14).
What are the key properties of CID 144955277?
CID 144955277 has a molecular weight of 185.79 g/mol, XLogP of -0.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 144955277 is sourced from PubChem (CID 144955277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).