CID 149423658

C11H13BN2 — CID 149423658

IUPAC—
SMILES[B]C(C)(CC)n1ncc2ccccc21
InChIInChI=1S/C11H13BN2/c1-3-11(2,12)14-10-7-5-4-6-9(10)8-13-14/h4-8H,3H2,1-2H3
InChIKeyWFUXHSSPLQYMKC-UHFFFAOYSA-N
MW184.05 g/mol
LogP2.29
Rot. Bonds2

About CID 149423658

CID 149423658 (PubChem CID 149423658) has the molecular formula C11H13BN2 and a molecular weight of 184.05 g/mol.

Molecular Properties

Compound NameCID 149423658
PubChem CID149423658
Molecular FormulaC11H13BN2
Molecular Weight184.05 g/mol
Exact Mass184.12
IUPAC Name—
SMILES[B]C(C)(CC)n1ncc2ccccc21
InChIInChI=1S/C11H13BN2/c1-3-11(2,12)14-10-7-5-4-6-9(10)8-13-14/h4-8H,3H2,1-2H3
InChIKeyWFUXHSSPLQYMKC-UHFFFAOYSA-N
XLogP2.29
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.05
LogP ≤ 52.29
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

1-(2-bromopropan-2-yl)indazole
CID 174866572
2-indazol-1-yl-3-methoxy-2-methylpropanoic acid
CID 115002905
1-ethylindazole;propane
CID 143188130
4-indazol-1-yl-2-methylbutan-2-ol
CID 79360866
1-[(2-methylpropan-2-yl)oxy]indazole
CID 89221145
1-propylindazole
CID 18695497
indazol-1-yl(dimethyl)alumane
CID 16692298
tetraethyl(indazol-1-yl)-λ5-phosphane
CID 140917105
CID 119080865
CID 119080865
1-indazol-1-yl-3,3-dimethylbutan-2-ol
CID 62141901
ethane;2-indazol-1-yl-N,N-dimethylethanamine;propane
CID 145062231
N-(indazol-1-ylmethyl)ethanamine
CID 57195663

Frequently Asked Questions

What is the IUPAC name of CID 149423658?
The IUPAC name of CID 149423658 (CID 149423658) is not available.
What is the SMILES notation for CID 149423658?
The canonical SMILES for CID 149423658 is [B]C(C)(CC)n1ncc2ccccc21.
What is the InChIKey of CID 149423658?
The InChIKey is WFUXHSSPLQYMKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BN2/c1-3-11(2,12)14-10-7-5-4-6-9(10)8-13-14/h4-8H,3H2,1-2H3.
What are the key properties of CID 149423658?
CID 149423658 has a molecular weight of 184.05 g/mol, XLogP of 2.29, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 149423658 is sourced from PubChem (CID 149423658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).