8-chloro-7-pyrimidin-5-ylnaphthalen-2-ol

C14H9ClN2O — CID 71818234

IUPAC8-chloro-7-pyrimidin-5-ylnaphthalen-2-ol
SMILESOc1ccc2ccc(-c3cncnc3)c(Cl)c2c1
InChIInChI=1S/C14H9ClN2O/c15-14-12(10-6-16-8-17-7-10)4-2-9-1-3-11(18)5-13(9)14/h1-8,18H
InChIKeyLUGXRTWVGQQQDE-UHFFFAOYSA-N
MW256.69 g/mol
LogP3.66
Rot. Bonds1

About 8-chloro-7-pyrimidin-5-ylnaphthalen-2-ol

8-chloro-7-pyrimidin-5-ylnaphthalen-2-ol (PubChem CID 71818234) has the molecular formula C14H9ClN2O and a molecular weight of 256.69 g/mol. Its IUPAC name is 8-chloro-7-pyrimidin-5-ylnaphthalen-2-ol.

Molecular Properties

Compound Name8-chloro-7-pyrimidin-5-ylnaphthalen-2-ol
PubChem CID71818234
Molecular FormulaC14H9ClN2O
Molecular Weight256.69 g/mol
Exact Mass256.04
IUPAC Name8-chloro-7-pyrimidin-5-ylnaphthalen-2-ol
SMILESOc1ccc2ccc(-c3cncnc3)c(Cl)c2c1
InChIInChI=1S/C14H9ClN2O/c15-14-12(10-6-16-8-17-7-10)4-2-9-1-3-11(18)5-13(9)14/h1-8,18H
InChIKeyLUGXRTWVGQQQDE-UHFFFAOYSA-N
XLogP3.66
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.69
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-7-pyrimidin-5-ylnaphthalen-2-ol?
The IUPAC name of 8-chloro-7-pyrimidin-5-ylnaphthalen-2-ol (CID 71818234) is 8-chloro-7-pyrimidin-5-ylnaphthalen-2-ol.
What is the SMILES notation for 8-chloro-7-pyrimidin-5-ylnaphthalen-2-ol?
The canonical SMILES for 8-chloro-7-pyrimidin-5-ylnaphthalen-2-ol is Oc1ccc2ccc(-c3cncnc3)c(Cl)c2c1.
What is the InChIKey of 8-chloro-7-pyrimidin-5-ylnaphthalen-2-ol?
The InChIKey is LUGXRTWVGQQQDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClN2O/c15-14-12(10-6-16-8-17-7-10)4-2-9-1-3-11(18)5-13(9)14/h1-8,18H.
What are the key properties of 8-chloro-7-pyrimidin-5-ylnaphthalen-2-ol?
8-chloro-7-pyrimidin-5-ylnaphthalen-2-ol has a molecular weight of 256.69 g/mol, XLogP of 3.66, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-7-pyrimidin-5-ylnaphthalen-2-ol is sourced from PubChem (CID 71818234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).