2-[4-(2-aminoimidazo[4,5-c]pyridin-1-yl)phenyl]acetonitrile

C14H11N5 — CID 79296252

IUPAC2-[4-(2-aminoimidazo[4,5-c]pyridin-1-yl)phenyl]acetonitrile
SMILESN#CCc1ccc(-n2c(N)nc3cnccc32)cc1
InChIInChI=1S/C14H11N5/c15-7-5-10-1-3-11(4-2-10)19-13-6-8-17-9-12(13)18-14(19)16/h1-4,6,8-9H,5H2,(H2,16,18)
InChIKeyBUSLWQZPXXJMCY-UHFFFAOYSA-N
MW249.28 g/mol
LogP2.07
Rot. Bonds2

About 2-[4-(2-aminoimidazo[4,5-c]pyridin-1-yl)phenyl]acetonitrile

2-[4-(2-aminoimidazo[4,5-c]pyridin-1-yl)phenyl]acetonitrile (PubChem CID 79296252) has the molecular formula C14H11N5 and a molecular weight of 249.28 g/mol. Its IUPAC name is 2-[4-(2-aminoimidazo[4,5-c]pyridin-1-yl)phenyl]acetonitrile.

Molecular Properties

Compound Name2-[4-(2-aminoimidazo[4,5-c]pyridin-1-yl)phenyl]acetonitrile
PubChem CID79296252
Molecular FormulaC14H11N5
Molecular Weight249.28 g/mol
Exact Mass249.10
IUPAC Name2-[4-(2-aminoimidazo[4,5-c]pyridin-1-yl)phenyl]acetonitrile
SMILESN#CCc1ccc(-n2c(N)nc3cnccc32)cc1
InChIInChI=1S/C14H11N5/c15-7-5-10-1-3-11(4-2-10)19-13-6-8-17-9-12(13)18-14(19)16/h1-4,6,8-9H,5H2,(H2,16,18)
InChIKeyBUSLWQZPXXJMCY-UHFFFAOYSA-N
XLogP2.07
TPSA80.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.28
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-aminoimidazo[4,5-c]pyridin-1-yl)phenyl]acetonitrile?
The IUPAC name of 2-[4-(2-aminoimidazo[4,5-c]pyridin-1-yl)phenyl]acetonitrile (CID 79296252) is 2-[4-(2-aminoimidazo[4,5-c]pyridin-1-yl)phenyl]acetonitrile.
What is the SMILES notation for 2-[4-(2-aminoimidazo[4,5-c]pyridin-1-yl)phenyl]acetonitrile?
The canonical SMILES for 2-[4-(2-aminoimidazo[4,5-c]pyridin-1-yl)phenyl]acetonitrile is N#CCc1ccc(-n2c(N)nc3cnccc32)cc1.
What is the InChIKey of 2-[4-(2-aminoimidazo[4,5-c]pyridin-1-yl)phenyl]acetonitrile?
The InChIKey is BUSLWQZPXXJMCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N5/c15-7-5-10-1-3-11(4-2-10)19-13-6-8-17-9-12(13)18-14(19)16/h1-4,6,8-9H,5H2,(H2,16,18).
What are the key properties of 2-[4-(2-aminoimidazo[4,5-c]pyridin-1-yl)phenyl]acetonitrile?
2-[4-(2-aminoimidazo[4,5-c]pyridin-1-yl)phenyl]acetonitrile has a molecular weight of 249.28 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-aminoimidazo[4,5-c]pyridin-1-yl)phenyl]acetonitrile is sourced from PubChem (CID 79296252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).