3-(2-chloropyrimidin-4-yl)phenol

C10H7ClN2O — CID 24901880

IUPAC3-(2-chloropyrimidin-4-yl)phenol
SMILESOc1cccc(-c2ccnc(Cl)n2)c1
InChIInChI=1S/C10H7ClN2O/c11-10-12-5-4-9(13-10)7-2-1-3-8(14)6-7/h1-6,14H
InChIKeyFBHTXOQEDBGING-UHFFFAOYSA-N
MW206.63 g/mol
LogP2.50
Rot. Bonds1

About 3-(2-chloropyrimidin-4-yl)phenol

3-(2-chloropyrimidin-4-yl)phenol (PubChem CID 24901880) has the molecular formula C10H7ClN2O and a molecular weight of 206.63 g/mol. Its IUPAC name is 3-(2-chloropyrimidin-4-yl)phenol.

Molecular Properties

Compound Name3-(2-chloropyrimidin-4-yl)phenol
PubChem CID24901880
Molecular FormulaC10H7ClN2O
Molecular Weight206.63 g/mol
Exact Mass206.02
IUPAC Name3-(2-chloropyrimidin-4-yl)phenol
SMILESOc1cccc(-c2ccnc(Cl)n2)c1
InChIInChI=1S/C10H7ClN2O/c11-10-12-5-4-9(13-10)7-2-1-3-8(14)6-7/h1-6,14H
InChIKeyFBHTXOQEDBGING-UHFFFAOYSA-N
XLogP2.50
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.63
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chloropyrimidin-4-yl)phenol?
The IUPAC name of 3-(2-chloropyrimidin-4-yl)phenol (CID 24901880) is 3-(2-chloropyrimidin-4-yl)phenol.
What is the SMILES notation for 3-(2-chloropyrimidin-4-yl)phenol?
The canonical SMILES for 3-(2-chloropyrimidin-4-yl)phenol is Oc1cccc(-c2ccnc(Cl)n2)c1.
What is the InChIKey of 3-(2-chloropyrimidin-4-yl)phenol?
The InChIKey is FBHTXOQEDBGING-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN2O/c11-10-12-5-4-9(13-10)7-2-1-3-8(14)6-7/h1-6,14H.
What are the key properties of 3-(2-chloropyrimidin-4-yl)phenol?
3-(2-chloropyrimidin-4-yl)phenol has a molecular weight of 206.63 g/mol, XLogP of 2.50, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloropyrimidin-4-yl)phenol is sourced from PubChem (CID 24901880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).