[4-[(3-bromo-2-pyridinyl)oxy]phenyl]-(1H-imidazo[4,5-b]pyridin-2-yl)methanone

C18H11BrN4O2 — CID 59326825

IUPAC[4-[(3-bromo-2-pyridinyl)oxy]phenyl]-(1H-imidazo[4,5-b]pyridin-2-yl)methanone
SMILESO=C(c1ccc(Oc2ncccc2Br)cc1)c1nc2ncccc2[nH]1
InChIInChI=1S/C18H11BrN4O2/c19-13-3-1-10-21-18(13)25-12-7-5-11(6-8-12)15(24)17-22-14-4-2-9-20-16(14)23-17/h1-10H,(H,20,22,23)
InChIKeyKKUXQFDOEXDETE-UHFFFAOYSA-N
MW395.22 g/mol
LogP4.14
Rot. Bonds4

About [4-[(3-bromo-2-pyridinyl)oxy]phenyl]-(1H-imidazo[4,5-b]pyridin-2-yl)methanone

[4-[(3-bromo-2-pyridinyl)oxy]phenyl]-(1H-imidazo[4,5-b]pyridin-2-yl)methanone (PubChem CID 59326825) has the molecular formula C18H11BrN4O2 and a molecular weight of 395.22 g/mol. Its IUPAC name is [4-[(3-bromo-2-pyridinyl)oxy]phenyl]-(1H-imidazo[4,5-b]pyridin-2-yl)methanone.

Molecular Properties

Compound Name[4-[(3-bromo-2-pyridinyl)oxy]phenyl]-(1H-imidazo[4,5-b]pyridin-2-yl)methanone
PubChem CID59326825
Molecular FormulaC18H11BrN4O2
Molecular Weight395.22 g/mol
Exact Mass394.01
IUPAC Name[4-[(3-bromo-2-pyridinyl)oxy]phenyl]-(1H-imidazo[4,5-b]pyridin-2-yl)methanone
SMILESO=C(c1ccc(Oc2ncccc2Br)cc1)c1nc2ncccc2[nH]1
InChIInChI=1S/C18H11BrN4O2/c19-13-3-1-10-21-18(13)25-12-7-5-11(6-8-12)15(24)17-22-14-4-2-9-20-16(14)23-17/h1-10H,(H,20,22,23)
InChIKeyKKUXQFDOEXDETE-UHFFFAOYSA-N
XLogP4.14
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.22
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[(3-bromo-2-pyridinyl)oxy]phenyl]-(1H-imidazo[4,5-b]pyridin-2-yl)methanone?
The IUPAC name of [4-[(3-bromo-2-pyridinyl)oxy]phenyl]-(1H-imidazo[4,5-b]pyridin-2-yl)methanone (CID 59326825) is [4-[(3-bromo-2-pyridinyl)oxy]phenyl]-(1H-imidazo[4,5-b]pyridin-2-yl)methanone.
What is the SMILES notation for [4-[(3-bromo-2-pyridinyl)oxy]phenyl]-(1H-imidazo[4,5-b]pyridin-2-yl)methanone?
The canonical SMILES for [4-[(3-bromo-2-pyridinyl)oxy]phenyl]-(1H-imidazo[4,5-b]pyridin-2-yl)methanone is O=C(c1ccc(Oc2ncccc2Br)cc1)c1nc2ncccc2[nH]1.
What is the InChIKey of [4-[(3-bromo-2-pyridinyl)oxy]phenyl]-(1H-imidazo[4,5-b]pyridin-2-yl)methanone?
The InChIKey is KKUXQFDOEXDETE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11BrN4O2/c19-13-3-1-10-21-18(13)25-12-7-5-11(6-8-12)15(24)17-22-14-4-2-9-20-16(14)23-17/h1-10H,(H,20,22,23).
What are the key properties of [4-[(3-bromo-2-pyridinyl)oxy]phenyl]-(1H-imidazo[4,5-b]pyridin-2-yl)methanone?
[4-[(3-bromo-2-pyridinyl)oxy]phenyl]-(1H-imidazo[4,5-b]pyridin-2-yl)methanone has a molecular weight of 395.22 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3-bromo-2-pyridinyl)oxy]phenyl]-(1H-imidazo[4,5-b]pyridin-2-yl)methanone is sourced from PubChem (CID 59326825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).