CID 88886077

C11H10BN3 — CID 88886077

IUPAC—
SMILES[B]c1ccc(N)c(Nc2ccccc2)n1
InChIInChI=1S/C11H10BN3/c12-10-7-6-9(13)11(15-10)14-8-4-2-1-3-5-8/h1-7H,13H2,(H,14,15)
InChIKeyJGVCQZQSSPEIFM-UHFFFAOYSA-N
MW195.03 g/mol
LogP1.20
Rot. Bonds2

About CID 88886077

CID 88886077 (PubChem CID 88886077) has the molecular formula C11H10BN3 and a molecular weight of 195.03 g/mol.

Molecular Properties

Compound NameCID 88886077
PubChem CID88886077
Molecular FormulaC11H10BN3
Molecular Weight195.03 g/mol
Exact Mass195.10
IUPAC Name—
SMILES[B]c1ccc(N)c(Nc2ccccc2)n1
InChIInChI=1S/C11H10BN3/c12-10-7-6-9(13)11(15-10)14-8-4-2-1-3-5-8/h1-7H,13H2,(H,14,15)
InChIKeyJGVCQZQSSPEIFM-UHFFFAOYSA-N
XLogP1.20
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.03
LogP ≤ 51.20
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

6-methyl-2-N-phenylpyridine-2,3-diamine
CID 79003921
2-N-phenyl-6-(trifluoromethyl)pyridine-2,3-diamine
CID 70979281
6-methyl-2-N-(4-phenylphenyl)pyridine-2,3-diamine
CID 81140251
2-bromo-4-N-phenylpyrimidine-4,5-diamine
CID 87114632
4-N-(4-anilinophenyl)benzene-1,2,4-triamine
CID 57184309
2-amino-4-anilino-6-methylpyrimidine-5-carboxylic acid
CID 150188567
2-methyl-4-N-phenyl-1H-imidazole-4,5-diamine
CID 82235464
5-bromo-2-N-phenylpyrazine-2,3-diamine
CID 91037057
5-bromo-3-N-phenylpyrazine-2,3-diamine
CID 139077006
5-N,6-N-diphenyltetrazine-5,6-diamine
CID 166773388
hydrazine;N-phenylaniline
CID 159755629
5-amino-6-[4-(dimethylamino)anilino]pyridine-2-carboxylic acid
CID 114405561

Frequently Asked Questions

What is the IUPAC name of CID 88886077?
The IUPAC name of CID 88886077 (CID 88886077) is not available.
What is the SMILES notation for CID 88886077?
The canonical SMILES for CID 88886077 is [B]c1ccc(N)c(Nc2ccccc2)n1.
What is the InChIKey of CID 88886077?
The InChIKey is JGVCQZQSSPEIFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BN3/c12-10-7-6-9(13)11(15-10)14-8-4-2-1-3-5-8/h1-7H,13H2,(H,14,15).
What are the key properties of CID 88886077?
CID 88886077 has a molecular weight of 195.03 g/mol, XLogP of 1.20, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 88886077 is sourced from PubChem (CID 88886077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).