4-[(2-bromopyrimidin-5-yl)methyl]phenol

C11H9BrN2O — CID 117224309

IUPAC4-[(2-bromopyrimidin-5-yl)methyl]phenol
SMILESOc1ccc(Cc2cnc(Br)nc2)cc1
InChIInChI=1S/C11H9BrN2O/c12-11-13-6-9(7-14-11)5-8-1-3-10(15)4-2-8/h1-4,6-7,15H,5H2
InChIKeyNFOHWLHFHGNTDQ-UHFFFAOYSA-N
MW265.11 g/mol
LogP2.54
Rot. Bonds2

About 4-[(2-bromopyrimidin-5-yl)methyl]phenol

4-[(2-bromopyrimidin-5-yl)methyl]phenol (PubChem CID 117224309) has the molecular formula C11H9BrN2O and a molecular weight of 265.11 g/mol. Its IUPAC name is 4-[(2-bromopyrimidin-5-yl)methyl]phenol.

Molecular Properties

Compound Name4-[(2-bromopyrimidin-5-yl)methyl]phenol
PubChem CID117224309
Molecular FormulaC11H9BrN2O
Molecular Weight265.11 g/mol
Exact Mass263.99
IUPAC Name4-[(2-bromopyrimidin-5-yl)methyl]phenol
SMILESOc1ccc(Cc2cnc(Br)nc2)cc1
InChIInChI=1S/C11H9BrN2O/c12-11-13-6-9(7-14-11)5-8-1-3-10(15)4-2-8/h1-4,6-7,15H,5H2
InChIKeyNFOHWLHFHGNTDQ-UHFFFAOYSA-N
XLogP2.54
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.11
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[(2-bromopyrimidin-5-yl)methyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(4-hydroxyphenyl)methyl]phenol
CID 12111
4-[[4-(4-hydroxyphenyl)phenyl]methyl]phenol
CID 58720488
CID 131886054
CID 131886054
bis(benzene-1,4-diol);benzylbenzene
CID 159915102
4-(pyridin-3-ylmethyl)phenol;hydrochloride
CID 13290136
4-[[4-(sulfanylmethoxy)phenyl]methyl]phenol
CID 89039452
2-bromo-5-(methoxymethyl)pyrimidine
CID 162464595
4-[(5-chloropyridazin-3-yl)methyl]phenol
CID 117106830
4-(phosphanylmethyl)phenol
CID 58879736
4-(1,2-oxazol-3-ylmethyl)phenol
CID 171846584
4-(1,3-thiazol-4-ylmethyl)phenol
CID 23553308
4-[(4-aminooxyphenyl)methyl]phenol
CID 122683282

Frequently Asked Questions

What is the IUPAC name of 4-[(2-bromopyrimidin-5-yl)methyl]phenol?
The IUPAC name of 4-[(2-bromopyrimidin-5-yl)methyl]phenol (CID 117224309) is 4-[(2-bromopyrimidin-5-yl)methyl]phenol.
What is the SMILES notation for 4-[(2-bromopyrimidin-5-yl)methyl]phenol?
The canonical SMILES for 4-[(2-bromopyrimidin-5-yl)methyl]phenol is Oc1ccc(Cc2cnc(Br)nc2)cc1.
What is the InChIKey of 4-[(2-bromopyrimidin-5-yl)methyl]phenol?
The InChIKey is NFOHWLHFHGNTDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN2O/c12-11-13-6-9(7-14-11)5-8-1-3-10(15)4-2-8/h1-4,6-7,15H,5H2.
What are the key properties of 4-[(2-bromopyrimidin-5-yl)methyl]phenol?
4-[(2-bromopyrimidin-5-yl)methyl]phenol has a molecular weight of 265.11 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-bromopyrimidin-5-yl)methyl]phenol is sourced from PubChem (CID 117224309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).