2-[(3-bromophenyl)methyl]-6-methyl-1H-imidazo[4,5-b]pyridine

C14H12BrN3 — CID 79795297

IUPAC2-[(3-bromophenyl)methyl]-6-methyl-1H-imidazo[4,5-b]pyridine
SMILESCc1cnc2nc(Cc3cccc(Br)c3)[nH]c2c1
InChIInChI=1S/C14H12BrN3/c1-9-5-12-14(16-8-9)18-13(17-12)7-10-3-2-4-11(15)6-10/h2-6,8H,7H2,1H3,(H,16,17,18)
InChIKeyNPGGCSLHMGGDDR-UHFFFAOYSA-N
MW302.18 g/mol
LogP3.62
Rot. Bonds2

About 2-[(3-bromophenyl)methyl]-6-methyl-1H-imidazo[4,5-b]pyridine

2-[(3-bromophenyl)methyl]-6-methyl-1H-imidazo[4,5-b]pyridine (PubChem CID 79795297) has the molecular formula C14H12BrN3 and a molecular weight of 302.18 g/mol. Its IUPAC name is 2-[(3-bromophenyl)methyl]-6-methyl-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-[(3-bromophenyl)methyl]-6-methyl-1H-imidazo[4,5-b]pyridine
PubChem CID79795297
Molecular FormulaC14H12BrN3
Molecular Weight302.18 g/mol
Exact Mass301.02
IUPAC Name2-[(3-bromophenyl)methyl]-6-methyl-1H-imidazo[4,5-b]pyridine
SMILESCc1cnc2nc(Cc3cccc(Br)c3)[nH]c2c1
InChIInChI=1S/C14H12BrN3/c1-9-5-12-14(16-8-9)18-13(17-12)7-10-3-2-4-11(15)6-10/h2-6,8H,7H2,1H3,(H,16,17,18)
InChIKeyNPGGCSLHMGGDDR-UHFFFAOYSA-N
XLogP3.62
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.18
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromophenyl)methyl]-6-methyl-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 2-[(3-bromophenyl)methyl]-6-methyl-1H-imidazo[4,5-b]pyridine (CID 79795297) is 2-[(3-bromophenyl)methyl]-6-methyl-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-[(3-bromophenyl)methyl]-6-methyl-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 2-[(3-bromophenyl)methyl]-6-methyl-1H-imidazo[4,5-b]pyridine is Cc1cnc2nc(Cc3cccc(Br)c3)[nH]c2c1.
What is the InChIKey of 2-[(3-bromophenyl)methyl]-6-methyl-1H-imidazo[4,5-b]pyridine?
The InChIKey is NPGGCSLHMGGDDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN3/c1-9-5-12-14(16-8-9)18-13(17-12)7-10-3-2-4-11(15)6-10/h2-6,8H,7H2,1H3,(H,16,17,18).
What are the key properties of 2-[(3-bromophenyl)methyl]-6-methyl-1H-imidazo[4,5-b]pyridine?
2-[(3-bromophenyl)methyl]-6-methyl-1H-imidazo[4,5-b]pyridine has a molecular weight of 302.18 g/mol, XLogP of 3.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromophenyl)methyl]-6-methyl-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 79795297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).