2-[2-(chloromethyl)pyrimidin-4-yl]phenol

C11H9ClN2O — CID 174635932

IUPAC2-[2-(chloromethyl)pyrimidin-4-yl]phenol
SMILESOc1ccccc1-c1ccnc(CCl)n1
InChIInChI=1S/C11H9ClN2O/c12-7-11-13-6-5-9(14-11)8-3-1-2-4-10(8)15/h1-6,15H,7H2
InChIKeyKRQOWNTWIFOHIW-UHFFFAOYSA-N
MW220.66 g/mol
LogP2.59
Rot. Bonds2

About 2-[2-(chloromethyl)pyrimidin-4-yl]phenol

2-[2-(chloromethyl)pyrimidin-4-yl]phenol (PubChem CID 174635932) has the molecular formula C11H9ClN2O and a molecular weight of 220.66 g/mol. Its IUPAC name is 2-[2-(chloromethyl)pyrimidin-4-yl]phenol.

Molecular Properties

Compound Name2-[2-(chloromethyl)pyrimidin-4-yl]phenol
PubChem CID174635932
Molecular FormulaC11H9ClN2O
Molecular Weight220.66 g/mol
Exact Mass220.04
IUPAC Name2-[2-(chloromethyl)pyrimidin-4-yl]phenol
SMILESOc1ccccc1-c1ccnc(CCl)n1
InChIInChI=1S/C11H9ClN2O/c12-7-11-13-6-5-9(14-11)8-3-1-2-4-10(8)15/h1-6,15H,7H2
InChIKeyKRQOWNTWIFOHIW-UHFFFAOYSA-N
XLogP2.59
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.66
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-(2-bromopyrimidin-4-yl)phenol
CID 136967154
2-[3-(chloromethyl)-1,2,4-oxadiazol-5-yl]phenol
CID 870621
[4-(2-bromophenyl)pyrimidin-2-yl]methanamine
CID 84711190
1-[4-(2-chlorophenyl)pyrimidin-2-yl]-2-methylpropan-2-amine
CID 82666279
3-[4-(2-bromophenyl)pyrimidin-2-yl]propan-1-ol
CID 116899714
N-[[4-(2-methylphenyl)pyrimidin-2-yl]methyl]ethanamine
CID 116898542
[2-(2-ethylpyrimidin-4-yl)phenyl]methanamine
CID 105466934
2-pyridin-2-ylphenol;hydrate
CID 175244966
2-(2-chloroethyl)-4-phenylpyrimidine
CID 116899322
4-(1,3-benzodioxol-5-yl)-2-(chloromethyl)pyrimidine
CID 116899243
1-[4-(2-fluorophenyl)pyrimidin-2-yl]-N-methylmethanamine
CID 84682667
4-(1-benzofuran-3-yl)-2-(2-chloroethyl)pyrimidine
CID 116899372

Frequently Asked Questions

What is the IUPAC name of 2-[2-(chloromethyl)pyrimidin-4-yl]phenol?
The IUPAC name of 2-[2-(chloromethyl)pyrimidin-4-yl]phenol (CID 174635932) is 2-[2-(chloromethyl)pyrimidin-4-yl]phenol.
What is the SMILES notation for 2-[2-(chloromethyl)pyrimidin-4-yl]phenol?
The canonical SMILES for 2-[2-(chloromethyl)pyrimidin-4-yl]phenol is Oc1ccccc1-c1ccnc(CCl)n1.
What is the InChIKey of 2-[2-(chloromethyl)pyrimidin-4-yl]phenol?
The InChIKey is KRQOWNTWIFOHIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2O/c12-7-11-13-6-5-9(14-11)8-3-1-2-4-10(8)15/h1-6,15H,7H2.
What are the key properties of 2-[2-(chloromethyl)pyrimidin-4-yl]phenol?
2-[2-(chloromethyl)pyrimidin-4-yl]phenol has a molecular weight of 220.66 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(chloromethyl)pyrimidin-4-yl]phenol is sourced from PubChem (CID 174635932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).