2-[2-(5-bromofuran-2-yl)-6-methylimidazo[1,2-a]pyridin-3-yl]acetonitrile

C14H10BrN3O — CID 13259035

IUPAC2-[2-(5-bromofuran-2-yl)-6-methylimidazo[1,2-a]pyridin-3-yl]acetonitrile
SMILESCc1ccc2nc(-c3ccc(Br)o3)c(CC#N)n2c1
InChIInChI=1S/C14H10BrN3O/c1-9-2-5-13-17-14(11-3-4-12(15)19-11)10(6-7-16)18(13)8-9/h2-5,8H,6H2,1H3
InChIKeyJHRLRRBUJDHLFA-UHFFFAOYSA-N
MW316.16 g/mol
LogP3.73
Rot. Bonds2

About 2-[2-(5-bromofuran-2-yl)-6-methylimidazo[1,2-a]pyridin-3-yl]acetonitrile

2-[2-(5-bromofuran-2-yl)-6-methylimidazo[1,2-a]pyridin-3-yl]acetonitrile (PubChem CID 13259035) has the molecular formula C14H10BrN3O and a molecular weight of 316.16 g/mol. Its IUPAC name is 2-[2-(5-bromofuran-2-yl)-6-methylimidazo[1,2-a]pyridin-3-yl]acetonitrile.

Molecular Properties

Compound Name2-[2-(5-bromofuran-2-yl)-6-methylimidazo[1,2-a]pyridin-3-yl]acetonitrile
PubChem CID13259035
Molecular FormulaC14H10BrN3O
Molecular Weight316.16 g/mol
Exact Mass315.00
IUPAC Name2-[2-(5-bromofuran-2-yl)-6-methylimidazo[1,2-a]pyridin-3-yl]acetonitrile
SMILESCc1ccc2nc(-c3ccc(Br)o3)c(CC#N)n2c1
InChIInChI=1S/C14H10BrN3O/c1-9-2-5-13-17-14(11-3-4-12(15)19-11)10(6-7-16)18(13)8-9/h2-5,8H,6H2,1H3
InChIKeyJHRLRRBUJDHLFA-UHFFFAOYSA-N
XLogP3.73
TPSA54.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.16
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-bromofuran-2-yl)-6-methylimidazo[1,2-a]pyridin-3-yl]acetonitrile?
The IUPAC name of 2-[2-(5-bromofuran-2-yl)-6-methylimidazo[1,2-a]pyridin-3-yl]acetonitrile (CID 13259035) is 2-[2-(5-bromofuran-2-yl)-6-methylimidazo[1,2-a]pyridin-3-yl]acetonitrile.
What is the SMILES notation for 2-[2-(5-bromofuran-2-yl)-6-methylimidazo[1,2-a]pyridin-3-yl]acetonitrile?
The canonical SMILES for 2-[2-(5-bromofuran-2-yl)-6-methylimidazo[1,2-a]pyridin-3-yl]acetonitrile is Cc1ccc2nc(-c3ccc(Br)o3)c(CC#N)n2c1.
What is the InChIKey of 2-[2-(5-bromofuran-2-yl)-6-methylimidazo[1,2-a]pyridin-3-yl]acetonitrile?
The InChIKey is JHRLRRBUJDHLFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrN3O/c1-9-2-5-13-17-14(11-3-4-12(15)19-11)10(6-7-16)18(13)8-9/h2-5,8H,6H2,1H3.
What are the key properties of 2-[2-(5-bromofuran-2-yl)-6-methylimidazo[1,2-a]pyridin-3-yl]acetonitrile?
2-[2-(5-bromofuran-2-yl)-6-methylimidazo[1,2-a]pyridin-3-yl]acetonitrile has a molecular weight of 316.16 g/mol, XLogP of 3.73, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-bromofuran-2-yl)-6-methylimidazo[1,2-a]pyridin-3-yl]acetonitrile is sourced from PubChem (CID 13259035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).