CID 66586186

C6H8BN2O — CID 66586186

IUPAC—
SMILESCO[B]Nc1ccccn1
InChIInChI=1S/C6H8BN2O/c1-10-7-9-6-4-2-3-5-8-6/h2-5H,1H3,(H,8,9)
InChIKeyVSPFSJHEJLNVKA-UHFFFAOYSA-N
MW134.95 g/mol
LogP0.67
Rot. Bonds3

About CID 66586186

CID 66586186 (PubChem CID 66586186) has the molecular formula C6H8BN2O and a molecular weight of 134.95 g/mol.

Molecular Properties

Compound NameCID 66586186
PubChem CID66586186
Molecular FormulaC6H8BN2O
Molecular Weight134.95 g/mol
Exact Mass135.07
IUPAC Name—
SMILESCO[B]Nc1ccccn1
InChIInChI=1S/C6H8BN2O/c1-10-7-9-6-4-2-3-5-8-6/h2-5H,1H3,(H,8,9)
InChIKeyVSPFSJHEJLNVKA-UHFFFAOYSA-N
XLogP0.67
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.95
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methanol;N-methylpyridin-2-amine
CID 174971654
ethane;1-methyl-2-pyridin-2-ylhydrazine
CID 144520197
CID 89243617
CID 89243617
N-pyridin-2-ylpyridin-2-amine;hydrochloride
CID 517616
N-methylpyridin-2-amine;prop-1-ene
CID 90835690
N-chloropyridin-2-amine
CID 22481248
potassium N-methanidylpyridin-2-amine
CID 153353371
1-N,4-N-dipyridin-2-ylbenzene-1,4-diamine
CID 139175237
2-(pyridin-2-ylamino)propan-2-ol
CID 91613794
methyl 2-(pyridin-2-ylamino)acetate;hydrochloride
CID 18418885
N-[[5-(methoxymethyl)furan-2-yl]methyl]pyridin-2-amine
CID 115735525
2-N,2-dimethyl-1-N-pyridin-2-ylpropane-1,2-diamine
CID 115222058

Frequently Asked Questions

What is the IUPAC name of CID 66586186?
The IUPAC name of CID 66586186 (CID 66586186) is not available.
What is the SMILES notation for CID 66586186?
The canonical SMILES for CID 66586186 is CO[B]Nc1ccccn1.
What is the InChIKey of CID 66586186?
The InChIKey is VSPFSJHEJLNVKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8BN2O/c1-10-7-9-6-4-2-3-5-8-6/h2-5H,1H3,(H,8,9).
What are the key properties of CID 66586186?
CID 66586186 has a molecular weight of 134.95 g/mol, XLogP of 0.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 66586186 is sourced from PubChem (CID 66586186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).