(6-bromo-3-iodoimidazo[1,2-a]pyridin-8-yl)-(oxan-4-ylmethyl)carbamic acid

C14H15BrIN3O3 — CID 70818429

IUPAC(6-bromo-3-iodoimidazo[1,2-a]pyridin-8-yl)-(oxan-4-ylmethyl)carbamic acid
SMILESO=C(O)N(CC1CCOCC1)c1cc(Br)cn2c(I)cnc12
InChIInChI=1S/C14H15BrIN3O3/c15-10-5-11(13-17-6-12(16)19(13)8-10)18(14(20)21)7-9-1-3-22-4-2-9/h5-6,8-9H,1-4,7H2,(H,20,21)
InChIKeyYJSMDSTVGHOJNH-UHFFFAOYSA-N
MW480.10 g/mol
LogP3.61
Rot. Bonds3

About (6-bromo-3-iodoimidazo[1,2-a]pyridin-8-yl)-(oxan-4-ylmethyl)carbamic acid

(6-bromo-3-iodoimidazo[1,2-a]pyridin-8-yl)-(oxan-4-ylmethyl)carbamic acid (PubChem CID 70818429) has the molecular formula C14H15BrIN3O3 and a molecular weight of 480.10 g/mol. Its IUPAC name is (6-bromo-3-iodoimidazo[1,2-a]pyridin-8-yl)-(oxan-4-ylmethyl)carbamic acid.

Molecular Properties

Compound Name(6-bromo-3-iodoimidazo[1,2-a]pyridin-8-yl)-(oxan-4-ylmethyl)carbamic acid
PubChem CID70818429
Molecular FormulaC14H15BrIN3O3
Molecular Weight480.10 g/mol
Exact Mass478.93
IUPAC Name(6-bromo-3-iodoimidazo[1,2-a]pyridin-8-yl)-(oxan-4-ylmethyl)carbamic acid
SMILESO=C(O)N(CC1CCOCC1)c1cc(Br)cn2c(I)cnc12
InChIInChI=1S/C14H15BrIN3O3/c15-10-5-11(13-17-6-12(16)19(13)8-10)18(14(20)21)7-9-1-3-22-4-2-9/h5-6,8-9H,1-4,7H2,(H,20,21)
InChIKeyYJSMDSTVGHOJNH-UHFFFAOYSA-N
XLogP3.61
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.10
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (6-bromo-3-iodoimidazo[1,2-a]pyridin-8-yl)-(oxan-4-ylmethyl)carbamic acid?
The IUPAC name of (6-bromo-3-iodoimidazo[1,2-a]pyridin-8-yl)-(oxan-4-ylmethyl)carbamic acid (CID 70818429) is (6-bromo-3-iodoimidazo[1,2-a]pyridin-8-yl)-(oxan-4-ylmethyl)carbamic acid.
What is the SMILES notation for (6-bromo-3-iodoimidazo[1,2-a]pyridin-8-yl)-(oxan-4-ylmethyl)carbamic acid?
The canonical SMILES for (6-bromo-3-iodoimidazo[1,2-a]pyridin-8-yl)-(oxan-4-ylmethyl)carbamic acid is O=C(O)N(CC1CCOCC1)c1cc(Br)cn2c(I)cnc12.
What is the InChIKey of (6-bromo-3-iodoimidazo[1,2-a]pyridin-8-yl)-(oxan-4-ylmethyl)carbamic acid?
The InChIKey is YJSMDSTVGHOJNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrIN3O3/c15-10-5-11(13-17-6-12(16)19(13)8-10)18(14(20)21)7-9-1-3-22-4-2-9/h5-6,8-9H,1-4,7H2,(H,20,21).
What are the key properties of (6-bromo-3-iodoimidazo[1,2-a]pyridin-8-yl)-(oxan-4-ylmethyl)carbamic acid?
(6-bromo-3-iodoimidazo[1,2-a]pyridin-8-yl)-(oxan-4-ylmethyl)carbamic acid has a molecular weight of 480.10 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromo-3-iodoimidazo[1,2-a]pyridin-8-yl)-(oxan-4-ylmethyl)carbamic acid is sourced from PubChem (CID 70818429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).