4-[4-bromo-2-(3-methyl-2-pyridinyl)phenyl]-3-(5-fluoro-2-pyridinyl)phenol

C23H16BrFN2O — CID 155908910

IUPAC4-[4-bromo-2-(3-methyl-2-pyridinyl)phenyl]-3-(5-fluoro-2-pyridinyl)phenol
SMILESCc1cccnc1-c1cc(Br)ccc1-c1ccc(O)cc1-c1ccc(F)cn1
InChIInChI=1S/C23H16BrFN2O/c1-14-3-2-10-26-23(14)21-11-15(24)4-7-19(21)18-8-6-17(28)12-20(18)22-9-5-16(25)13-27-22/h2-13,28H,1H3
InChIKeyRSAKXYIGJYZIQK-UHFFFAOYSA-N
MW435.30 g/mol
LogP6.39
Rot. Bonds3

About 4-[4-bromo-2-(3-methyl-2-pyridinyl)phenyl]-3-(5-fluoro-2-pyridinyl)phenol

4-[4-bromo-2-(3-methyl-2-pyridinyl)phenyl]-3-(5-fluoro-2-pyridinyl)phenol (PubChem CID 155908910) has the molecular formula C23H16BrFN2O and a molecular weight of 435.30 g/mol. Its IUPAC name is 4-[4-bromo-2-(3-methyl-2-pyridinyl)phenyl]-3-(5-fluoro-2-pyridinyl)phenol.

Molecular Properties

Compound Name4-[4-bromo-2-(3-methyl-2-pyridinyl)phenyl]-3-(5-fluoro-2-pyridinyl)phenol
PubChem CID155908910
Molecular FormulaC23H16BrFN2O
Molecular Weight435.30 g/mol
Exact Mass434.04
IUPAC Name4-[4-bromo-2-(3-methyl-2-pyridinyl)phenyl]-3-(5-fluoro-2-pyridinyl)phenol
SMILESCc1cccnc1-c1cc(Br)ccc1-c1ccc(O)cc1-c1ccc(F)cn1
InChIInChI=1S/C23H16BrFN2O/c1-14-3-2-10-26-23(14)21-11-15(24)4-7-19(21)18-8-6-17(28)12-20(18)22-9-5-16(25)13-27-22/h2-13,28H,1H3
InChIKeyRSAKXYIGJYZIQK-UHFFFAOYSA-N
XLogP6.39
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.30
LogP ≤ 56.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-Phenyl-6-pyridin-4-yl-2-pyridinyl)phenol
CID 46861757
3-(2-Phenyl-6-pyridin-4-yl-4-pyridinyl)phenol
CID 46887284
6-Bromo-1-[[ethyl(pyridin-4-ylmethyl)amino]methyl]naphthalen-2-ol
CID 2490091
4-[1-[2-(4-Bromophenyl)prop-2-enyl]pyridin-1-ium-4-yl]phenol bromide
CID 24799622
4-[3-[(3R,4R)-1-[(2-bromophenyl)methyl]-3-ethylpiperidin-4-yl]propyl]quinolin-6-ol
CID 44534570
3-[6-(4-Hydroxyphenyl)-4-pyridin-2-yl-2-pyridinyl]phenol
CID 137091038
4-[6-(4-Hydroxyphenyl)-4-pyridin-3-yl-2-pyridinyl]phenol
CID 137091044
3-[3-methyl-5-[3-[(E)-2-phenylethenyl]-5-pyridin-3-yl-2-pyridinyl]-2-pyridinyl]phenol
CID 118352515
4-(4-Phenyl-6-pyridin-3-yl-2-pyridinyl)phenol
CID 136086714
4-(2-Phenyl-6-pyridin-4-yl-4-pyridinyl)phenol
CID 136086715
1-(4-Bromophenyl)-8-(5-fluoro-2-pyridinyl)-10-(hydroxymethyl)-9,10-dihydrophenanthren-4-ol
CID 168276575
Intetrix
CID 174627

Frequently Asked Questions

What is the IUPAC name of 4-[4-bromo-2-(3-methyl-2-pyridinyl)phenyl]-3-(5-fluoro-2-pyridinyl)phenol?
The IUPAC name of 4-[4-bromo-2-(3-methyl-2-pyridinyl)phenyl]-3-(5-fluoro-2-pyridinyl)phenol (CID 155908910) is 4-[4-bromo-2-(3-methyl-2-pyridinyl)phenyl]-3-(5-fluoro-2-pyridinyl)phenol.
What is the SMILES notation for 4-[4-bromo-2-(3-methyl-2-pyridinyl)phenyl]-3-(5-fluoro-2-pyridinyl)phenol?
The canonical SMILES for 4-[4-bromo-2-(3-methyl-2-pyridinyl)phenyl]-3-(5-fluoro-2-pyridinyl)phenol is Cc1cccnc1-c1cc(Br)ccc1-c1ccc(O)cc1-c1ccc(F)cn1.
What is the InChIKey of 4-[4-bromo-2-(3-methyl-2-pyridinyl)phenyl]-3-(5-fluoro-2-pyridinyl)phenol?
The InChIKey is RSAKXYIGJYZIQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16BrFN2O/c1-14-3-2-10-26-23(14)21-11-15(24)4-7-19(21)18-8-6-17(28)12-20(18)22-9-5-16(25)13-27-22/h2-13,28H,1H3.
What are the key properties of 4-[4-bromo-2-(3-methyl-2-pyridinyl)phenyl]-3-(5-fluoro-2-pyridinyl)phenol?
4-[4-bromo-2-(3-methyl-2-pyridinyl)phenyl]-3-(5-fluoro-2-pyridinyl)phenol has a molecular weight of 435.30 g/mol, XLogP of 6.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-bromo-2-(3-methyl-2-pyridinyl)phenyl]-3-(5-fluoro-2-pyridinyl)phenol is sourced from PubChem (CID 155908910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).