CID 166142135

C11H9BN2 — CID 166142135

IUPAC—
SMILES[B]c1ccc2c(c1)c(C#N)c(C)n2C
InChIInChI=1S/C11H9BN2/c1-7-10(6-13)9-5-8(12)3-4-11(9)14(7)2/h3-5H,1-2H3
InChIKeyMKIKSYINUKOKFE-UHFFFAOYSA-N
MW180.02 g/mol
LogP1.15
Rot. Bonds

About CID 166142135

CID 166142135 (PubChem CID 166142135) has the molecular formula C11H9BN2 and a molecular weight of 180.02 g/mol.

Molecular Properties

Compound NameCID 166142135
PubChem CID166142135
Molecular FormulaC11H9BN2
Molecular Weight180.02 g/mol
Exact Mass180.09
IUPAC Name—
SMILES[B]c1ccc2c(c1)c(C#N)c(C)n2C
InChIInChI=1S/C11H9BN2/c1-7-10(6-13)9-5-8(12)3-4-11(9)14(7)2/h3-5H,1-2H3
InChIKeyMKIKSYINUKOKFE-UHFFFAOYSA-N
XLogP1.15
TPSA28.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.02
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Iprindole
CID 21722
Indole-3-acetonitrile
CID 351795
Mebhydrolin
CID 22530
2,3-Dimethylindole
CID 7053
3-Amino-9-ethylcarbazole
CID 8588
4,9-Dihydro-1-methyl-3H-pyrido(3,4-b)indole
CID 160510
Avn-101
CID 42631003
1-Methyl-1H-indole-3-ethylamine
CID 23492
N-ethyl carbazole
CID 6836
N-Vinylcarbazole
CID 15143
1-Methyl-2-phenylindole
CID 77095
9H-Carbazol-3-amine, 9-ethyl-, hydrochloride (1:1)
CID 62130

Frequently Asked Questions

What is the IUPAC name of CID 166142135?
The IUPAC name of CID 166142135 (CID 166142135) is not available.
What is the SMILES notation for CID 166142135?
The canonical SMILES for CID 166142135 is [B]c1ccc2c(c1)c(C#N)c(C)n2C.
What is the InChIKey of CID 166142135?
The InChIKey is MKIKSYINUKOKFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BN2/c1-7-10(6-13)9-5-8(12)3-4-11(9)14(7)2/h3-5H,1-2H3.
What are the key properties of CID 166142135?
CID 166142135 has a molecular weight of 180.02 g/mol, XLogP of 1.15, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 166142135 is sourced from PubChem (CID 166142135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).