CID 89289325

C7H10BN2O — CID 89289325

IUPAC—
SMILESCO[B]Nc1cc(C)ccn1
InChIInChI=1S/C7H10BN2O/c1-6-3-4-9-7(5-6)10-8-11-2/h3-5H,1-2H3,(H,9,10)
InChIKeyUNLZFCCEUNYDJB-UHFFFAOYSA-N
MW148.98 g/mol
LogP0.98
Rot. Bonds3

About CID 89289325

CID 89289325 (PubChem CID 89289325) has the molecular formula C7H10BN2O and a molecular weight of 148.98 g/mol.

Molecular Properties

Compound NameCID 89289325
PubChem CID89289325
Molecular FormulaC7H10BN2O
Molecular Weight148.98 g/mol
Exact Mass149.09
IUPAC Name—
SMILESCO[B]Nc1cc(C)ccn1
InChIInChI=1S/C7H10BN2O/c1-6-3-4-9-7(5-6)10-8-11-2/h3-5H,1-2H3,(H,9,10)
InChIKeyUNLZFCCEUNYDJB-UHFFFAOYSA-N
XLogP0.98
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.98
LogP ≤ 50.98
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

N,4-dimethylpyridin-2-amine;hydrochloride
CID 54595444
1,1-dimethyl-2-(4-methyl-2-pyridinyl)hydrazine
CID 20747440
2-methoxy-N-(4-methyl-2-pyridinyl)acetamide
CID 23657944
N-(3,5-dimethylphenyl)-4-methylpyridin-2-amine
CID 53414319
2-methoxy-N-(4-methyl-2-pyridinyl)propanamide
CID 170104902
(4-methyl-2-pyridinyl)thiourea;molecular nitrogen
CID 170549235
N-(2,5-dimethylpyrrol-1-yl)-4-methylpyridin-2-amine
CID 79106888
N-(4-methoxybutan-2-yl)-4-methylpyridin-2-amine
CID 64604062
N-cyclopropyl-4-methylpyridin-2-amine;ethane
CID 170575903
N-(2,5-dimethoxyphenyl)-4-methylpyridin-2-amine
CID 91756707
N-(1-ethoxy-3-methylbutan-2-yl)-4-methylpyridin-2-amine
CID 103269882
N'-methyl-N-(4-methyl-2-pyridinyl)ethanimidamide
CID 21131959

Frequently Asked Questions

What is the IUPAC name of CID 89289325?
The IUPAC name of CID 89289325 (CID 89289325) is not available.
What is the SMILES notation for CID 89289325?
The canonical SMILES for CID 89289325 is CO[B]Nc1cc(C)ccn1.
What is the InChIKey of CID 89289325?
The InChIKey is UNLZFCCEUNYDJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10BN2O/c1-6-3-4-9-7(5-6)10-8-11-2/h3-5H,1-2H3,(H,9,10).
What are the key properties of CID 89289325?
CID 89289325 has a molecular weight of 148.98 g/mol, XLogP of 0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 89289325 is sourced from PubChem (CID 89289325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).