CID 170639258

C11H16BN2 — CID 170639258

IUPAC—
SMILESCC.C[B]c1cccn2c(C)cnc12
InChIInChI=1S/C9H10BN2.C2H6/c1-7-6-11-9-8(10-2)4-3-5-12(7)9;1-2/h3-6H,1-2H3;1-2H3
InChIKeyJWNZQAHAMRJDKF-UHFFFAOYSA-N
MW187.07 g/mol
LogP2.05
Rot. Bonds1

About CID 170639258

CID 170639258 (PubChem CID 170639258) has the molecular formula C11H16BN2 and a molecular weight of 187.07 g/mol.

Molecular Properties

Compound NameCID 170639258
PubChem CID170639258
Molecular FormulaC11H16BN2
Molecular Weight187.07 g/mol
Exact Mass187.14
IUPAC Name—
SMILESCC.C[B]c1cccn2c(C)cnc12
InChIInChI=1S/C9H10BN2.C2H6/c1-7-6-11-9-8(10-2)4-3-5-12(7)9;1-2/h3-6H,1-2H3;1-2H3
InChIKeyJWNZQAHAMRJDKF-UHFFFAOYSA-N
XLogP2.05
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.07
LogP ≤ 52.05
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

3-methylimidazo[1,2-a]pyridin-8-ol
CID 105429184
ethane;8-fluoro-3,7-dimethylimidazo[1,2-a]pyridine
CID 156651605
3,8-dimethylimidazo[1,2-a]pyridine;ethane;imidazo[1,2-a]pyridin-5-amine
CID 156652177
7,8-difluoro-3-methylimidazo[1,2-a]pyridine
CID 177261685
ethane;4-methylpyrrolo[1,2-a]pyrazine
CID 143942469
3-iodo-8-methylimidazo[1,2-a]pyridine
CID 115404343
3-phenyl-[1,2,4]triazolo[4,3-a]pyridin-8-ol
CID 117147107
5,8-dimethyl-3-phenyl-[1,2,4]triazolo[4,3-a]pyrazine
CID 614138
8-fluoro-3-methyl-[1,2,4]triazolo[4,3-a]pyridine
CID 119020976
3-(chloromethyl)-8-methylimidazo[1,2-a]pyridine
CID 10726071
3-methyl-8-(2-methylpropyl)imidazo[1,2-a]pyrazine
CID 154971222
3-methyl-8-piperidin-1-ylimidazo[1,2-a]pyrazine
CID 11321891

Frequently Asked Questions

What is the IUPAC name of CID 170639258?
The IUPAC name of CID 170639258 (CID 170639258) is not available.
What is the SMILES notation for CID 170639258?
The canonical SMILES for CID 170639258 is CC.C[B]c1cccn2c(C)cnc12.
What is the InChIKey of CID 170639258?
The InChIKey is JWNZQAHAMRJDKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BN2.C2H6/c1-7-6-11-9-8(10-2)4-3-5-12(7)9;1-2/h3-6H,1-2H3;1-2H3.
What are the key properties of CID 170639258?
CID 170639258 has a molecular weight of 187.07 g/mol, XLogP of 2.05, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 170639258 is sourced from PubChem (CID 170639258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).