3-(6-bromo-2-methylimidazo[4,5-c]pyridin-1-yl)butanenitrile

C11H11BrN4 — CID 90183960

IUPAC3-(6-bromo-2-methylimidazo[4,5-c]pyridin-1-yl)butanenitrile
SMILESCc1nc2cnc(Br)cc2n1C(C)CC#N
InChIInChI=1S/C11H11BrN4/c1-7(3-4-13)16-8(2)15-9-6-14-11(12)5-10(9)16/h5-7H,3H2,1-2H3
InChIKeyWROOJJBXKZVKEF-UHFFFAOYSA-N
MW279.14 g/mol
LogP2.98
Rot. Bonds2

About 3-(6-bromo-2-methylimidazo[4,5-c]pyridin-1-yl)butanenitrile

3-(6-bromo-2-methylimidazo[4,5-c]pyridin-1-yl)butanenitrile (PubChem CID 90183960) has the molecular formula C11H11BrN4 and a molecular weight of 279.14 g/mol. Its IUPAC name is 3-(6-bromo-2-methylimidazo[4,5-c]pyridin-1-yl)butanenitrile.

Molecular Properties

Compound Name3-(6-bromo-2-methylimidazo[4,5-c]pyridin-1-yl)butanenitrile
PubChem CID90183960
Molecular FormulaC11H11BrN4
Molecular Weight279.14 g/mol
Exact Mass278.02
IUPAC Name3-(6-bromo-2-methylimidazo[4,5-c]pyridin-1-yl)butanenitrile
SMILESCc1nc2cnc(Br)cc2n1C(C)CC#N
InChIInChI=1S/C11H11BrN4/c1-7(3-4-13)16-8(2)15-9-6-14-11(12)5-10(9)16/h5-7H,3H2,1-2H3
InChIKeyWROOJJBXKZVKEF-UHFFFAOYSA-N
XLogP2.98
TPSA54.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.14
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(6-bromo-2-methylimidazo[4,5-c]pyridin-1-yl)butanenitrile?
The IUPAC name of 3-(6-bromo-2-methylimidazo[4,5-c]pyridin-1-yl)butanenitrile (CID 90183960) is 3-(6-bromo-2-methylimidazo[4,5-c]pyridin-1-yl)butanenitrile.
What is the SMILES notation for 3-(6-bromo-2-methylimidazo[4,5-c]pyridin-1-yl)butanenitrile?
The canonical SMILES for 3-(6-bromo-2-methylimidazo[4,5-c]pyridin-1-yl)butanenitrile is Cc1nc2cnc(Br)cc2n1C(C)CC#N.
What is the InChIKey of 3-(6-bromo-2-methylimidazo[4,5-c]pyridin-1-yl)butanenitrile?
The InChIKey is WROOJJBXKZVKEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN4/c1-7(3-4-13)16-8(2)15-9-6-14-11(12)5-10(9)16/h5-7H,3H2,1-2H3.
What are the key properties of 3-(6-bromo-2-methylimidazo[4,5-c]pyridin-1-yl)butanenitrile?
3-(6-bromo-2-methylimidazo[4,5-c]pyridin-1-yl)butanenitrile has a molecular weight of 279.14 g/mol, XLogP of 2.98, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-bromo-2-methylimidazo[4,5-c]pyridin-1-yl)butanenitrile is sourced from PubChem (CID 90183960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).