(6-bromoimidazo[1,2-a]pyridin-8-yl)-(2-methoxyethyl)carbamic acid

C11H12BrN3O3 — CID 70818261

IUPAC(6-bromoimidazo[1,2-a]pyridin-8-yl)-(2-methoxyethyl)carbamic acid
SMILESCOCCN(C(=O)O)c1cc(Br)cn2ccnc12
InChIInChI=1S/C11H12BrN3O3/c1-18-5-4-15(11(16)17)9-6-8(12)7-14-3-2-13-10(9)14/h2-3,6-7H,4-5H2,1H3,(H,16,17)
InChIKeyQWXOQYJNTLUKAT-UHFFFAOYSA-N
MW314.14 g/mol
LogP2.23
Rot. Bonds4

About (6-bromoimidazo[1,2-a]pyridin-8-yl)-(2-methoxyethyl)carbamic acid

(6-bromoimidazo[1,2-a]pyridin-8-yl)-(2-methoxyethyl)carbamic acid (PubChem CID 70818261) has the molecular formula C11H12BrN3O3 and a molecular weight of 314.14 g/mol. Its IUPAC name is (6-bromoimidazo[1,2-a]pyridin-8-yl)-(2-methoxyethyl)carbamic acid.

Molecular Properties

Compound Name(6-bromoimidazo[1,2-a]pyridin-8-yl)-(2-methoxyethyl)carbamic acid
PubChem CID70818261
Molecular FormulaC11H12BrN3O3
Molecular Weight314.14 g/mol
Exact Mass313.01
IUPAC Name(6-bromoimidazo[1,2-a]pyridin-8-yl)-(2-methoxyethyl)carbamic acid
SMILESCOCCN(C(=O)O)c1cc(Br)cn2ccnc12
InChIInChI=1S/C11H12BrN3O3/c1-18-5-4-15(11(16)17)9-6-8(12)7-14-3-2-13-10(9)14/h2-3,6-7H,4-5H2,1H3,(H,16,17)
InChIKeyQWXOQYJNTLUKAT-UHFFFAOYSA-N
XLogP2.23
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.14
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6-bromoimidazo[1,2-a]pyridin-8-yl)-(2-methoxyethyl)carbamic acid?
The IUPAC name of (6-bromoimidazo[1,2-a]pyridin-8-yl)-(2-methoxyethyl)carbamic acid (CID 70818261) is (6-bromoimidazo[1,2-a]pyridin-8-yl)-(2-methoxyethyl)carbamic acid.
What is the SMILES notation for (6-bromoimidazo[1,2-a]pyridin-8-yl)-(2-methoxyethyl)carbamic acid?
The canonical SMILES for (6-bromoimidazo[1,2-a]pyridin-8-yl)-(2-methoxyethyl)carbamic acid is COCCN(C(=O)O)c1cc(Br)cn2ccnc12.
What is the InChIKey of (6-bromoimidazo[1,2-a]pyridin-8-yl)-(2-methoxyethyl)carbamic acid?
The InChIKey is QWXOQYJNTLUKAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3O3/c1-18-5-4-15(11(16)17)9-6-8(12)7-14-3-2-13-10(9)14/h2-3,6-7H,4-5H2,1H3,(H,16,17).
What are the key properties of (6-bromoimidazo[1,2-a]pyridin-8-yl)-(2-methoxyethyl)carbamic acid?
(6-bromoimidazo[1,2-a]pyridin-8-yl)-(2-methoxyethyl)carbamic acid has a molecular weight of 314.14 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromoimidazo[1,2-a]pyridin-8-yl)-(2-methoxyethyl)carbamic acid is sourced from PubChem (CID 70818261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).