4-chloro-2-(2-chloropyrimidin-4-yl)phenol

C10H6Cl2N2O — CID 135743684

IUPAC4-chloro-2-(2-chloropyrimidin-4-yl)phenol
SMILESOc1ccc(Cl)cc1-c1ccnc(Cl)n1
InChIInChI=1S/C10H6Cl2N2O/c11-6-1-2-9(15)7(5-6)8-3-4-13-10(12)14-8/h1-5,15H
InChIKeyPAROXJYJDMPABT-UHFFFAOYSA-N
MW241.08 g/mol
LogP3.16
Rot. Bonds1

About 4-chloro-2-(2-chloropyrimidin-4-yl)phenol

4-chloro-2-(2-chloropyrimidin-4-yl)phenol (PubChem CID 135743684) has the molecular formula C10H6Cl2N2O and a molecular weight of 241.08 g/mol. Its IUPAC name is 4-chloro-2-(2-chloropyrimidin-4-yl)phenol.

Molecular Properties

Compound Name4-chloro-2-(2-chloropyrimidin-4-yl)phenol
PubChem CID135743684
Molecular FormulaC10H6Cl2N2O
Molecular Weight241.08 g/mol
Exact Mass239.99
IUPAC Name4-chloro-2-(2-chloropyrimidin-4-yl)phenol
SMILESOc1ccc(Cl)cc1-c1ccnc(Cl)n1
InChIInChI=1S/C10H6Cl2N2O/c11-6-1-2-9(15)7(5-6)8-3-4-13-10(12)14-8/h1-5,15H
InChIKeyPAROXJYJDMPABT-UHFFFAOYSA-N
XLogP3.16
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.08
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-chloro-2-(2-chloropyrimidin-4-yl)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

2-(2-aminopyrimidin-4-yl)-4-chlorophenol
CID 135905112
2-chloro-4-(2,4-dichlorophenyl)pyrimidine
CID 11086481
2-(2-aminopyrimidin-4-yl)-4-(4-chloro-2-fluoroanilino)phenol
CID 142680353
4-chloro-2-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]phenol
CID 137012886
5-chloro-2-(2-chloropyrimidin-4-yl)-1H-indole
CID 162717915
4-chloro-2-(5-pyrimidin-2-yl-1H-1,2,4-triazol-3-yl)phenol
CID 135429607
4-chloro-2-[2-(hydroxymethyl)-4-pyridinyl]phenol
CID 136949048
2-(2-chloropyrimidin-4-yl)benzene-1,4-diamine
CID 87820280
2-chloro-4-(2,3-difluorophenyl)pyrimidine
CID 24901991
4-chloro-2-[2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenol
CID 135939559
2-chloro-4-(5-chloro-2-fluoro-4-pyridinyl)pyrimidine
CID 88919519
2-chloro-4-(3-fluoro-2-methoxyphenyl)pyrimidine
CID 24901962

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2-chloropyrimidin-4-yl)phenol?
The IUPAC name of 4-chloro-2-(2-chloropyrimidin-4-yl)phenol (CID 135743684) is 4-chloro-2-(2-chloropyrimidin-4-yl)phenol.
What is the SMILES notation for 4-chloro-2-(2-chloropyrimidin-4-yl)phenol?
The canonical SMILES for 4-chloro-2-(2-chloropyrimidin-4-yl)phenol is Oc1ccc(Cl)cc1-c1ccnc(Cl)n1.
What is the InChIKey of 4-chloro-2-(2-chloropyrimidin-4-yl)phenol?
The InChIKey is PAROXJYJDMPABT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Cl2N2O/c11-6-1-2-9(15)7(5-6)8-3-4-13-10(12)14-8/h1-5,15H.
What are the key properties of 4-chloro-2-(2-chloropyrimidin-4-yl)phenol?
4-chloro-2-(2-chloropyrimidin-4-yl)phenol has a molecular weight of 241.08 g/mol, XLogP of 3.16, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2-chloropyrimidin-4-yl)phenol is sourced from PubChem (CID 135743684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).