CID 70300240

C11H12BN2O2 — CID 70300240

IUPAC—
SMILESC[B]c1cccn2cc(C(=O)OCC)nc12
InChIInChI=1S/C11H12BN2O2/c1-3-16-11(15)9-7-14-6-4-5-8(12-2)10(14)13-9/h4-7H,3H2,1-2H3
InChIKeyXIPHUICKHIPSEE-UHFFFAOYSA-N
MW215.04 g/mol
LogP0.89
Rot. Bonds3

About CID 70300240

CID 70300240 (PubChem CID 70300240) has the molecular formula C11H12BN2O2 and a molecular weight of 215.04 g/mol.

Molecular Properties

Compound NameCID 70300240
PubChem CID70300240
Molecular FormulaC11H12BN2O2
Molecular Weight215.04 g/mol
Exact Mass215.10
IUPAC Name—
SMILESC[B]c1cccn2cc(C(=O)OCC)nc12
InChIInChI=1S/C11H12BN2O2/c1-3-16-11(15)9-7-14-6-4-5-8(12-2)10(14)13-9/h4-7H,3H2,1-2H3
InChIKeyXIPHUICKHIPSEE-UHFFFAOYSA-N
XLogP0.89
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.04
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 8-bromoimidazo[1,2-a]pyridine-2-carboxylate
CID 57360969
ethyl 8-carbamoylimidazo[1,2-a]pyridine-2-carboxylate
CID 143716769
ethyl 8-(chloromethyl)imidazo[1,2-a]pyridine-2-carboxylate
CID 19701330
ethyl pyrrolo[2,1-c][1,2,4]triazine-3-carboxylate
CID 170452736
ethyl 2-phenylimidazo[1,2-a]pyridine-8-carboxylate;hydrobromide
CID 67768891
ethyl 2-phenylimidazo[2,1-b][1,3]thiazole-6-carboxylate
CID 90023168
ethyl 6-chloro-8-fluoroimidazo[1,2-a]pyridine-2-carboxylate
CID 154730382
ethyl 5-phenylimidazo[1,2-a]pyrimidine-2-carboxylate
CID 103200747
ethyl 2-(dichloromethyl)imidazo[1,2-a]pyridine-8-carboxylate
CID 59280012
ethyl 6,8-dichloroimidazo[1,2-a]pyridine-2-carboxylate;hydrobromide
CID 90484321
ethyl 6-amino-8-chloroimidazo[1,2-a]pyridine-2-carboxylate
CID 131365721
ethyl 8-bromo-5-methylsulfanyl-7-phenylimidazo[1,2-c]pyrimidine-2-carboxylate
CID 139508768

Frequently Asked Questions

What is the IUPAC name of CID 70300240?
The IUPAC name of CID 70300240 (CID 70300240) is not available.
What is the SMILES notation for CID 70300240?
The canonical SMILES for CID 70300240 is C[B]c1cccn2cc(C(=O)OCC)nc12.
What is the InChIKey of CID 70300240?
The InChIKey is XIPHUICKHIPSEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BN2O2/c1-3-16-11(15)9-7-14-6-4-5-8(12-2)10(14)13-9/h4-7H,3H2,1-2H3.
What are the key properties of CID 70300240?
CID 70300240 has a molecular weight of 215.04 g/mol, XLogP of 0.89, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 70300240 is sourced from PubChem (CID 70300240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).