2-(6-chloropyrimidin-4-yl)oxybenzonitrile

C11H6ClN3O — CID 50999262

IUPAC2-(6-chloropyrimidin-4-yl)oxybenzonitrile
SMILESN#Cc1ccccc1Oc1cc(Cl)ncn1
InChIInChI=1S/C11H6ClN3O/c12-10-5-11(15-7-14-10)16-9-4-2-1-3-8(9)6-13/h1-5,7H
InChIKeyJNEZGHPSXFUFMT-UHFFFAOYSA-N
MW231.64 g/mol
LogP2.79
Rot. Bonds2

About 2-(6-chloropyrimidin-4-yl)oxybenzonitrile

2-(6-chloropyrimidin-4-yl)oxybenzonitrile (PubChem CID 50999262) has the molecular formula C11H6ClN3O and a molecular weight of 231.64 g/mol. Its IUPAC name is 2-(6-chloropyrimidin-4-yl)oxybenzonitrile.

Molecular Properties

Compound Name2-(6-chloropyrimidin-4-yl)oxybenzonitrile
PubChem CID50999262
Molecular FormulaC11H6ClN3O
Molecular Weight231.64 g/mol
Exact Mass231.02
IUPAC Name2-(6-chloropyrimidin-4-yl)oxybenzonitrile
SMILESN#Cc1ccccc1Oc1cc(Cl)ncn1
InChIInChI=1S/C11H6ClN3O/c12-10-5-11(15-7-14-10)16-9-4-2-1-3-8(9)6-13/h1-5,7H
InChIKeyJNEZGHPSXFUFMT-UHFFFAOYSA-N
XLogP2.79
TPSA58.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.64
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(Pyrimidin-2-yloxy)benzonitrile
CID 901072
2-[4-(2-Pyrimidinyloxy)phenyl]acetonitrile
CID 2764393
Pyrimidine, 4-chloro-6-(4-chlorophenoxy)-
CID 3079025
2-Amino-4-(p-ethylphenoxy)-6-chloropyrimidine
CID 815741
4-(2-Allylphenoxy)-6-fluoro-2-pyrimidinamine
CID 741056
4-Chloro-6-(4-propyl-phenoxy)-pyrimidin-2-ylamine
CID 702419
2-Chloro-4-phenoxypyrimidine-5-carbonitrile
CID 145969756
4-Chloro-6-phenoxypyrimidine
CID 11593677
Methyl (2E)-2-(2-((6-chloropyrimidin-4-yl)oxy)phenyl)-3-methoxyprop-2-enoate
CID 11782200
4-Chloro-6-phenoxypyrimidin-2-amine
CID 753797
4-Chloro-6-(4-fluorophenoxy)pyrimidine
CID 3469285
4-(Benzyloxy)-2-chloropyrimidine
CID 15133237

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloropyrimidin-4-yl)oxybenzonitrile?
The IUPAC name of 2-(6-chloropyrimidin-4-yl)oxybenzonitrile (CID 50999262) is 2-(6-chloropyrimidin-4-yl)oxybenzonitrile.
What is the SMILES notation for 2-(6-chloropyrimidin-4-yl)oxybenzonitrile?
The canonical SMILES for 2-(6-chloropyrimidin-4-yl)oxybenzonitrile is N#Cc1ccccc1Oc1cc(Cl)ncn1.
What is the InChIKey of 2-(6-chloropyrimidin-4-yl)oxybenzonitrile?
The InChIKey is JNEZGHPSXFUFMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6ClN3O/c12-10-5-11(15-7-14-10)16-9-4-2-1-3-8(9)6-13/h1-5,7H.
What are the key properties of 2-(6-chloropyrimidin-4-yl)oxybenzonitrile?
2-(6-chloropyrimidin-4-yl)oxybenzonitrile has a molecular weight of 231.64 g/mol, XLogP of 2.79, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloropyrimidin-4-yl)oxybenzonitrile is sourced from PubChem (CID 50999262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).