4-bromo-2-[2-(6-bromo-1H-indol-2-yl)-4-pyridinyl]phenol

C19H12Br2N2O — CID 137017403

IUPAC4-bromo-2-[2-(6-bromo-1H-indol-2-yl)-4-pyridinyl]phenol
SMILESOc1ccc(Br)cc1-c1ccnc(-c2cc3ccc(Br)cc3[nH]2)c1
InChIInChI=1S/C19H12Br2N2O/c20-13-3-4-19(24)15(9-13)11-5-6-22-17(7-11)18-8-12-1-2-14(21)10-16(12)23-18/h1-10,23-24H
InChIKeyOQXJUXJMJBKYTA-UHFFFAOYSA-N
MW444.13 g/mol
LogP6.13
Rot. Bonds2

About 4-bromo-2-[2-(6-bromo-1H-indol-2-yl)-4-pyridinyl]phenol

4-bromo-2-[2-(6-bromo-1H-indol-2-yl)-4-pyridinyl]phenol (PubChem CID 137017403) has the molecular formula C19H12Br2N2O and a molecular weight of 444.13 g/mol. Its IUPAC name is 4-bromo-2-[2-(6-bromo-1H-indol-2-yl)-4-pyridinyl]phenol.

Molecular Properties

Compound Name4-bromo-2-[2-(6-bromo-1H-indol-2-yl)-4-pyridinyl]phenol
PubChem CID137017403
Molecular FormulaC19H12Br2N2O
Molecular Weight444.13 g/mol
Exact Mass441.93
IUPAC Name4-bromo-2-[2-(6-bromo-1H-indol-2-yl)-4-pyridinyl]phenol
SMILESOc1ccc(Br)cc1-c1ccnc(-c2cc3ccc(Br)cc3[nH]2)c1
InChIInChI=1S/C19H12Br2N2O/c20-13-3-4-19(24)15(9-13)11-5-6-22-17(7-11)18-8-12-1-2-14(21)10-16(12)23-18/h1-10,23-24H
InChIKeyOQXJUXJMJBKYTA-UHFFFAOYSA-N
XLogP6.13
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.13
LogP ≤ 56.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[2-(6-bromo-1H-indol-2-yl)-4-pyridinyl]phenol?
The IUPAC name of 4-bromo-2-[2-(6-bromo-1H-indol-2-yl)-4-pyridinyl]phenol (CID 137017403) is 4-bromo-2-[2-(6-bromo-1H-indol-2-yl)-4-pyridinyl]phenol.
What is the SMILES notation for 4-bromo-2-[2-(6-bromo-1H-indol-2-yl)-4-pyridinyl]phenol?
The canonical SMILES for 4-bromo-2-[2-(6-bromo-1H-indol-2-yl)-4-pyridinyl]phenol is Oc1ccc(Br)cc1-c1ccnc(-c2cc3ccc(Br)cc3[nH]2)c1.
What is the InChIKey of 4-bromo-2-[2-(6-bromo-1H-indol-2-yl)-4-pyridinyl]phenol?
The InChIKey is OQXJUXJMJBKYTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12Br2N2O/c20-13-3-4-19(24)15(9-13)11-5-6-22-17(7-11)18-8-12-1-2-14(21)10-16(12)23-18/h1-10,23-24H.
What are the key properties of 4-bromo-2-[2-(6-bromo-1H-indol-2-yl)-4-pyridinyl]phenol?
4-bromo-2-[2-(6-bromo-1H-indol-2-yl)-4-pyridinyl]phenol has a molecular weight of 444.13 g/mol, XLogP of 6.13, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[2-(6-bromo-1H-indol-2-yl)-4-pyridinyl]phenol is sourced from PubChem (CID 137017403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).