2-(2-bromopyrimidin-4-yl)phenol

C10H7BrN2O — CID 136967154

IUPAC2-(2-bromopyrimidin-4-yl)phenol
SMILESOc1ccccc1-c1ccnc(Br)n1
InChIInChI=1S/C10H7BrN2O/c11-10-12-6-5-8(13-10)7-3-1-2-4-9(7)14/h1-6,14H
InChIKeyPCYQLMLKPQQSMW-UHFFFAOYSA-N
MW251.08 g/mol
LogP2.61
Rot. Bonds1

About 2-(2-bromopyrimidin-4-yl)phenol

2-(2-bromopyrimidin-4-yl)phenol (PubChem CID 136967154) has the molecular formula C10H7BrN2O and a molecular weight of 251.08 g/mol. Its IUPAC name is 2-(2-bromopyrimidin-4-yl)phenol.

Molecular Properties

Compound Name2-(2-bromopyrimidin-4-yl)phenol
PubChem CID136967154
Molecular FormulaC10H7BrN2O
Molecular Weight251.08 g/mol
Exact Mass249.97
IUPAC Name2-(2-bromopyrimidin-4-yl)phenol
SMILESOc1ccccc1-c1ccnc(Br)n1
InChIInChI=1S/C10H7BrN2O/c11-10-12-6-5-8(13-10)7-3-1-2-4-9(7)14/h1-6,14H
InChIKeyPCYQLMLKPQQSMW-UHFFFAOYSA-N
XLogP2.61
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.08
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-4-naphthalen-1-ylpyrimidine
CID 91926173
2-[2-(chloromethyl)pyrimidin-4-yl]phenol
CID 174635932
2-pyridin-2-ylphenol;hydrate
CID 175244966
2-bromo-4-(2,4-dimethylphenyl)pyrimidine
CID 116904235
2-(6-fluoro-2-pyridinyl)phenol
CID 136595488
2-[2-(1,4-diazepan-1-yl)pyrimidin-4-yl]phenol
CID 136967152
2-[(1Z,7Z,13Z,19Z)-23-(2-hydroxyphenyl)-3,24-diazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaen-4-yl]phenol;platinum
CID 164778996
bis(dimethylazanide);bis(2-pyridin-2-ylphenol);titanium(2+)
CID 135489220
2-pyrimidin-2-ylphenol;zinc
CID 161346901
[4-(2-bromophenyl)pyrimidin-2-yl]methanamine
CID 84711190
4-(2-bromophenyl)-N-methylpyrimidin-2-amine
CID 63548579
2-(2-hydroxyphenyl)phenol;naphthalene
CID 70386801

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromopyrimidin-4-yl)phenol?
The IUPAC name of 2-(2-bromopyrimidin-4-yl)phenol (CID 136967154) is 2-(2-bromopyrimidin-4-yl)phenol.
What is the SMILES notation for 2-(2-bromopyrimidin-4-yl)phenol?
The canonical SMILES for 2-(2-bromopyrimidin-4-yl)phenol is Oc1ccccc1-c1ccnc(Br)n1.
What is the InChIKey of 2-(2-bromopyrimidin-4-yl)phenol?
The InChIKey is PCYQLMLKPQQSMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrN2O/c11-10-12-6-5-8(13-10)7-3-1-2-4-9(7)14/h1-6,14H.
What are the key properties of 2-(2-bromopyrimidin-4-yl)phenol?
2-(2-bromopyrimidin-4-yl)phenol has a molecular weight of 251.08 g/mol, XLogP of 2.61, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromopyrimidin-4-yl)phenol is sourced from PubChem (CID 136967154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).