2,5-dichloroquinazoline-4-carbonitrile

C9H3Cl2N3 — CID 134263880

IUPAC2,5-dichloroquinazoline-4-carbonitrile
SMILESN#Cc1nc(Cl)nc2cccc(Cl)c12
InChIInChI=1S/C9H3Cl2N3/c10-5-2-1-3-6-8(5)7(4-12)14-9(11)13-6/h1-3H
InChIKeyRJKCQCJEPQWXJO-UHFFFAOYSA-N
MW224.05 g/mol
LogP2.81
Rot. Bonds

About 2,5-dichloroquinazoline-4-carbonitrile

2,5-dichloroquinazoline-4-carbonitrile (PubChem CID 134263880) has the molecular formula C9H3Cl2N3 and a molecular weight of 224.05 g/mol. Its IUPAC name is 2,5-dichloroquinazoline-4-carbonitrile.

Molecular Properties

Compound Name2,5-dichloroquinazoline-4-carbonitrile
PubChem CID134263880
Molecular FormulaC9H3Cl2N3
Molecular Weight224.05 g/mol
Exact Mass222.97
IUPAC Name2,5-dichloroquinazoline-4-carbonitrile
SMILESN#Cc1nc(Cl)nc2cccc(Cl)c12
InChIInChI=1S/C9H3Cl2N3/c10-5-2-1-3-6-8(5)7(4-12)14-9(11)13-6/h1-3H
InChIKeyRJKCQCJEPQWXJO-UHFFFAOYSA-N
XLogP2.81
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.05
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5-dichloroquinazoline-4-carbonitrile?
The IUPAC name of 2,5-dichloroquinazoline-4-carbonitrile (CID 134263880) is 2,5-dichloroquinazoline-4-carbonitrile.
What is the SMILES notation for 2,5-dichloroquinazoline-4-carbonitrile?
The canonical SMILES for 2,5-dichloroquinazoline-4-carbonitrile is N#Cc1nc(Cl)nc2cccc(Cl)c12.
What is the InChIKey of 2,5-dichloroquinazoline-4-carbonitrile?
The InChIKey is RJKCQCJEPQWXJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H3Cl2N3/c10-5-2-1-3-6-8(5)7(4-12)14-9(11)13-6/h1-3H.
What are the key properties of 2,5-dichloroquinazoline-4-carbonitrile?
2,5-dichloroquinazoline-4-carbonitrile has a molecular weight of 224.05 g/mol, XLogP of 2.81, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloroquinazoline-4-carbonitrile is sourced from PubChem (CID 134263880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).