[2-(2,3-dichlorophenyl)pyrimidin-4-yl]methanol

C11H8Cl2N2O — CID 54332168

IUPAC[2-(2,3-dichlorophenyl)pyrimidin-4-yl]methanol
SMILESOCc1ccnc(-c2cccc(Cl)c2Cl)n1
InChIInChI=1S/C11H8Cl2N2O/c12-9-3-1-2-8(10(9)13)11-14-5-4-7(6-16)15-11/h1-5,16H,6H2
InChIKeySZCLQQMEHZGXIA-UHFFFAOYSA-N
MW255.10 g/mol
LogP2.94
Rot. Bonds2

About [2-(2,3-dichlorophenyl)pyrimidin-4-yl]methanol

[2-(2,3-dichlorophenyl)pyrimidin-4-yl]methanol (PubChem CID 54332168) has the molecular formula C11H8Cl2N2O and a molecular weight of 255.10 g/mol. Its IUPAC name is [2-(2,3-dichlorophenyl)pyrimidin-4-yl]methanol.

Molecular Properties

Compound Name[2-(2,3-dichlorophenyl)pyrimidin-4-yl]methanol
PubChem CID54332168
Molecular FormulaC11H8Cl2N2O
Molecular Weight255.10 g/mol
Exact Mass254.00
IUPAC Name[2-(2,3-dichlorophenyl)pyrimidin-4-yl]methanol
SMILESOCc1ccnc(-c2cccc(Cl)c2Cl)n1
InChIInChI=1S/C11H8Cl2N2O/c12-9-3-1-2-8(10(9)13)11-14-5-4-7(6-16)15-11/h1-5,16H,6H2
InChIKeySZCLQQMEHZGXIA-UHFFFAOYSA-N
XLogP2.94
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.10
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-naphthalen-1-ylpyrimidin-4-yl)methanol
CID 55114157
[2-(2-methoxyphenyl)pyrimidin-4-yl]methanol
CID 62748662
[2-(3,5-dichlorophenyl)pyrimidin-4-yl]methanol
CID 107918136
[2-[2-(trideuteriomethoxy)phenyl]pyrimidin-4-yl]methanol
CID 118157470
6-(2,3-dichlorophenyl)-1,3,5-triazine-2,4-diamine
CID 12852436
5-(chloromethyl)-2-(2,3-dichlorophenyl)pyrimidine
CID 130088706
(8-chloro-1,5-naphthyridin-2-yl)methanol
CID 174647269
N-[[2-(2-chlorophenyl)pyrimidin-4-yl]methyl]-2-methylpropan-1-amine
CID 62749359
2-(2,3-dichlorophenyl)-5-iodopyrimidin-4-amine
CID 66295881
[2-(3,5-difluorophenyl)pyrimidin-4-yl]methanol
CID 62749028
2-(2,3-dichlorophenyl)-6-propylpyrimidin-4-amine
CID 62201749
[2-(3-ethyl-2-pyridinyl)pyrimidin-4-yl]methanol
CID 82740620

Frequently Asked Questions

What is the IUPAC name of [2-(2,3-dichlorophenyl)pyrimidin-4-yl]methanol?
The IUPAC name of [2-(2,3-dichlorophenyl)pyrimidin-4-yl]methanol (CID 54332168) is [2-(2,3-dichlorophenyl)pyrimidin-4-yl]methanol.
What is the SMILES notation for [2-(2,3-dichlorophenyl)pyrimidin-4-yl]methanol?
The canonical SMILES for [2-(2,3-dichlorophenyl)pyrimidin-4-yl]methanol is OCc1ccnc(-c2cccc(Cl)c2Cl)n1.
What is the InChIKey of [2-(2,3-dichlorophenyl)pyrimidin-4-yl]methanol?
The InChIKey is SZCLQQMEHZGXIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2N2O/c12-9-3-1-2-8(10(9)13)11-14-5-4-7(6-16)15-11/h1-5,16H,6H2.
What are the key properties of [2-(2,3-dichlorophenyl)pyrimidin-4-yl]methanol?
[2-(2,3-dichlorophenyl)pyrimidin-4-yl]methanol has a molecular weight of 255.10 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,3-dichlorophenyl)pyrimidin-4-yl]methanol is sourced from PubChem (CID 54332168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).