6-bromo-2-[2-(4-methoxy-2-pyridinyl)ethyl]-1H-imidazo[4,5-b]pyridine

C14H13BrN4O — CID 10308710

IUPAC6-bromo-2-[2-(4-methoxy-2-pyridinyl)ethyl]-1H-imidazo[4,5-b]pyridine
SMILESCOc1ccnc(CCc2nc3ncc(Br)cc3[nH]2)c1
InChIInChI=1S/C14H13BrN4O/c1-20-11-4-5-16-10(7-11)2-3-13-18-12-6-9(15)8-17-14(12)19-13/h4-8H,2-3H2,1H3,(H,17,18,19)
InChIKeyNCNCDRDHFQNSFX-UHFFFAOYSA-N
MW333.19 g/mol
LogP2.91
Rot. Bonds4

About 6-bromo-2-[2-(4-methoxy-2-pyridinyl)ethyl]-1H-imidazo[4,5-b]pyridine

6-bromo-2-[2-(4-methoxy-2-pyridinyl)ethyl]-1H-imidazo[4,5-b]pyridine (PubChem CID 10308710) has the molecular formula C14H13BrN4O and a molecular weight of 333.19 g/mol. Its IUPAC name is 6-bromo-2-[2-(4-methoxy-2-pyridinyl)ethyl]-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name6-bromo-2-[2-(4-methoxy-2-pyridinyl)ethyl]-1H-imidazo[4,5-b]pyridine
PubChem CID10308710
Molecular FormulaC14H13BrN4O
Molecular Weight333.19 g/mol
Exact Mass332.03
IUPAC Name6-bromo-2-[2-(4-methoxy-2-pyridinyl)ethyl]-1H-imidazo[4,5-b]pyridine
SMILESCOc1ccnc(CCc2nc3ncc(Br)cc3[nH]2)c1
InChIInChI=1S/C14H13BrN4O/c1-20-11-4-5-16-10(7-11)2-3-13-18-12-6-9(15)8-17-14(12)19-13/h4-8H,2-3H2,1H3,(H,17,18,19)
InChIKeyNCNCDRDHFQNSFX-UHFFFAOYSA-N
XLogP2.91
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.19
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-[2-(4-methoxy-2-pyridinyl)ethyl]-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 6-bromo-2-[2-(4-methoxy-2-pyridinyl)ethyl]-1H-imidazo[4,5-b]pyridine (CID 10308710) is 6-bromo-2-[2-(4-methoxy-2-pyridinyl)ethyl]-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 6-bromo-2-[2-(4-methoxy-2-pyridinyl)ethyl]-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 6-bromo-2-[2-(4-methoxy-2-pyridinyl)ethyl]-1H-imidazo[4,5-b]pyridine is COc1ccnc(CCc2nc3ncc(Br)cc3[nH]2)c1.
What is the InChIKey of 6-bromo-2-[2-(4-methoxy-2-pyridinyl)ethyl]-1H-imidazo[4,5-b]pyridine?
The InChIKey is NCNCDRDHFQNSFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN4O/c1-20-11-4-5-16-10(7-11)2-3-13-18-12-6-9(15)8-17-14(12)19-13/h4-8H,2-3H2,1H3,(H,17,18,19).
What are the key properties of 6-bromo-2-[2-(4-methoxy-2-pyridinyl)ethyl]-1H-imidazo[4,5-b]pyridine?
6-bromo-2-[2-(4-methoxy-2-pyridinyl)ethyl]-1H-imidazo[4,5-b]pyridine has a molecular weight of 333.19 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-[2-(4-methoxy-2-pyridinyl)ethyl]-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 10308710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).