2-(4,6-dichloropyrimidin-5-yl)naphthalen-1-ol

C14H8Cl2N2O — CID 168816117

IUPAC2-(4,6-dichloropyrimidin-5-yl)naphthalen-1-ol
SMILESOc1c(-c2c(Cl)ncnc2Cl)ccc2ccccc12
InChIInChI=1S/C14H8Cl2N2O/c15-13-11(14(16)18-7-17-13)10-6-5-8-3-1-2-4-9(8)12(10)19/h1-7,19H
InChIKeyQPRDMKHQVPWNPK-UHFFFAOYSA-N
MW291.14 g/mol
LogP4.31
Rot. Bonds1

About 2-(4,6-dichloropyrimidin-5-yl)naphthalen-1-ol

2-(4,6-dichloropyrimidin-5-yl)naphthalen-1-ol (PubChem CID 168816117) has the molecular formula C14H8Cl2N2O and a molecular weight of 291.14 g/mol. Its IUPAC name is 2-(4,6-dichloropyrimidin-5-yl)naphthalen-1-ol.

Molecular Properties

Compound Name2-(4,6-dichloropyrimidin-5-yl)naphthalen-1-ol
PubChem CID168816117
Molecular FormulaC14H8Cl2N2O
Molecular Weight291.14 g/mol
Exact Mass290.00
IUPAC Name2-(4,6-dichloropyrimidin-5-yl)naphthalen-1-ol
SMILESOc1c(-c2c(Cl)ncnc2Cl)ccc2ccccc12
InChIInChI=1S/C14H8Cl2N2O/c15-13-11(14(16)18-7-17-13)10-6-5-8-3-1-2-4-9(8)12(10)19/h1-7,19H
InChIKeyQPRDMKHQVPWNPK-UHFFFAOYSA-N
XLogP4.31
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.14
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dichloropyrimidin-5-yl)naphthalen-1-ol?
The IUPAC name of 2-(4,6-dichloropyrimidin-5-yl)naphthalen-1-ol (CID 168816117) is 2-(4,6-dichloropyrimidin-5-yl)naphthalen-1-ol.
What is the SMILES notation for 2-(4,6-dichloropyrimidin-5-yl)naphthalen-1-ol?
The canonical SMILES for 2-(4,6-dichloropyrimidin-5-yl)naphthalen-1-ol is Oc1c(-c2c(Cl)ncnc2Cl)ccc2ccccc12.
What is the InChIKey of 2-(4,6-dichloropyrimidin-5-yl)naphthalen-1-ol?
The InChIKey is QPRDMKHQVPWNPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl2N2O/c15-13-11(14(16)18-7-17-13)10-6-5-8-3-1-2-4-9(8)12(10)19/h1-7,19H.
What are the key properties of 2-(4,6-dichloropyrimidin-5-yl)naphthalen-1-ol?
2-(4,6-dichloropyrimidin-5-yl)naphthalen-1-ol has a molecular weight of 291.14 g/mol, XLogP of 4.31, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dichloropyrimidin-5-yl)naphthalen-1-ol is sourced from PubChem (CID 168816117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).