6-chloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[1,2-a]pyridin-3-amine

C15H12ClN3O2 — CID 63619145

IUPAC6-chloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[1,2-a]pyridin-3-amine
SMILESNc1c(-c2ccc3c(c2)OCCO3)nc2ccc(Cl)cn12
InChIInChI=1S/C15H12ClN3O2/c16-10-2-4-13-18-14(15(17)19(13)8-10)9-1-3-11-12(7-9)21-6-5-20-11/h1-4,7-8H,5-6,17H2
InChIKeyBCIJOCKHIUYOPW-UHFFFAOYSA-N
MW301.73 g/mol
LogP3.01
Rot. Bonds1

About 6-chloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[1,2-a]pyridin-3-amine

6-chloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[1,2-a]pyridin-3-amine (PubChem CID 63619145) has the molecular formula C15H12ClN3O2 and a molecular weight of 301.73 g/mol. Its IUPAC name is 6-chloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[1,2-a]pyridin-3-amine.

Molecular Properties

Compound Name6-chloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[1,2-a]pyridin-3-amine
PubChem CID63619145
Molecular FormulaC15H12ClN3O2
Molecular Weight301.73 g/mol
Exact Mass301.06
IUPAC Name6-chloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[1,2-a]pyridin-3-amine
SMILESNc1c(-c2ccc3c(c2)OCCO3)nc2ccc(Cl)cn12
InChIInChI=1S/C15H12ClN3O2/c16-10-2-4-13-18-14(15(17)19(13)8-10)9-1-3-11-12(7-9)21-6-5-20-11/h1-4,7-8H,5-6,17H2
InChIKeyBCIJOCKHIUYOPW-UHFFFAOYSA-N
XLogP3.01
TPSA61.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.73
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[1,2-a]pyridin-3-amine?
The IUPAC name of 6-chloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[1,2-a]pyridin-3-amine (CID 63619145) is 6-chloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[1,2-a]pyridin-3-amine.
What is the SMILES notation for 6-chloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[1,2-a]pyridin-3-amine?
The canonical SMILES for 6-chloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[1,2-a]pyridin-3-amine is Nc1c(-c2ccc3c(c2)OCCO3)nc2ccc(Cl)cn12.
What is the InChIKey of 6-chloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[1,2-a]pyridin-3-amine?
The InChIKey is BCIJOCKHIUYOPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O2/c16-10-2-4-13-18-14(15(17)19(13)8-10)9-1-3-11-12(7-9)21-6-5-20-11/h1-4,7-8H,5-6,17H2.
What are the key properties of 6-chloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[1,2-a]pyridin-3-amine?
6-chloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[1,2-a]pyridin-3-amine has a molecular weight of 301.73 g/mol, XLogP of 3.01, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[1,2-a]pyridin-3-amine is sourced from PubChem (CID 63619145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).