5-(1,3-dichloroazulen-2-yl)pyrimidine

C14H8Cl2N2 — CID 127027783

IUPAC5-(1,3-dichloroazulen-2-yl)pyrimidine
SMILESClc1c2cccccc-2c(Cl)c1-c1cncnc1
InChIInChI=1S/C14H8Cl2N2/c15-13-10-4-2-1-3-5-11(10)14(16)12(13)9-6-17-8-18-7-9/h1-8H
InChIKeyWOUWBMBHUWZUNI-UHFFFAOYSA-N
MW275.14 g/mol
LogP4.56
Rot. Bonds1

About 5-(1,3-dichloroazulen-2-yl)pyrimidine

5-(1,3-dichloroazulen-2-yl)pyrimidine (PubChem CID 127027783) has the molecular formula C14H8Cl2N2 and a molecular weight of 275.14 g/mol. Its IUPAC name is 5-(1,3-dichloroazulen-2-yl)pyrimidine.

Molecular Properties

Compound Name5-(1,3-dichloroazulen-2-yl)pyrimidine
PubChem CID127027783
Molecular FormulaC14H8Cl2N2
Molecular Weight275.14 g/mol
Exact Mass274.01
IUPAC Name5-(1,3-dichloroazulen-2-yl)pyrimidine
SMILESClc1c2cccccc-2c(Cl)c1-c1cncnc1
InChIInChI=1S/C14H8Cl2N2/c15-13-10-4-2-1-3-5-11(10)14(16)12(13)9-6-17-8-18-7-9/h1-8H
InChIKeyWOUWBMBHUWZUNI-UHFFFAOYSA-N
XLogP4.56
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.14
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(1,3-dichloroazulen-2-yl)pyrimidine?
The IUPAC name of 5-(1,3-dichloroazulen-2-yl)pyrimidine (CID 127027783) is 5-(1,3-dichloroazulen-2-yl)pyrimidine.
What is the SMILES notation for 5-(1,3-dichloroazulen-2-yl)pyrimidine?
The canonical SMILES for 5-(1,3-dichloroazulen-2-yl)pyrimidine is Clc1c2cccccc-2c(Cl)c1-c1cncnc1.
What is the InChIKey of 5-(1,3-dichloroazulen-2-yl)pyrimidine?
The InChIKey is WOUWBMBHUWZUNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl2N2/c15-13-10-4-2-1-3-5-11(10)14(16)12(13)9-6-17-8-18-7-9/h1-8H.
What are the key properties of 5-(1,3-dichloroazulen-2-yl)pyrimidine?
5-(1,3-dichloroazulen-2-yl)pyrimidine has a molecular weight of 275.14 g/mol, XLogP of 4.56, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-dichloroazulen-2-yl)pyrimidine is sourced from PubChem (CID 127027783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).