2-(2,6-dichloro-4-nitrophenoxy)pyrimidine-4-carbonitrile

C11H4Cl2N4O3 — CID 107545900

IUPAC2-(2,6-dichloro-4-nitrophenoxy)pyrimidine-4-carbonitrile
SMILESN#Cc1ccnc(Oc2c(Cl)cc([N+](=O)[O-])cc2Cl)n1
InChIInChI=1S/C11H4Cl2N4O3/c12-8-3-7(17(18)19)4-9(13)10(8)20-11-15-2-1-6(5-14)16-11/h1-4H
InChIKeyXZPNWHOIUULEFY-UHFFFAOYSA-N
MW311.08 g/mol
LogP3.36
Rot. Bonds3

About 2-(2,6-dichloro-4-nitrophenoxy)pyrimidine-4-carbonitrile

2-(2,6-dichloro-4-nitrophenoxy)pyrimidine-4-carbonitrile (PubChem CID 107545900) has the molecular formula C11H4Cl2N4O3 and a molecular weight of 311.08 g/mol. Its IUPAC name is 2-(2,6-dichloro-4-nitrophenoxy)pyrimidine-4-carbonitrile.

Molecular Properties

Compound Name2-(2,6-dichloro-4-nitrophenoxy)pyrimidine-4-carbonitrile
PubChem CID107545900
Molecular FormulaC11H4Cl2N4O3
Molecular Weight311.08 g/mol
Exact Mass309.97
IUPAC Name2-(2,6-dichloro-4-nitrophenoxy)pyrimidine-4-carbonitrile
SMILESN#Cc1ccnc(Oc2c(Cl)cc([N+](=O)[O-])cc2Cl)n1
InChIInChI=1S/C11H4Cl2N4O3/c12-8-3-7(17(18)19)4-9(13)10(8)20-11-15-2-1-6(5-14)16-11/h1-4H
InChIKeyXZPNWHOIUULEFY-UHFFFAOYSA-N
XLogP3.36
TPSA101.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.08
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(2,6-dibromo-4-nitrophenoxy)pyrimidine-4-carbonitrile
CID 107545902
2-(4-chloro-2-nitrophenoxy)pyrimidine-4-carbonitrile
CID 107545722
2-(4-amino-3-chlorophenoxy)pyrimidine-4-carbonitrile
CID 107552133
2-(2,5-difluoro-4-nitrophenoxy)pyrimidine-4-carbonitrile
CID 107545938
4-(2,6-dichloro-4-nitrophenoxy)aniline
CID 106891919
2-(4-cyano-2,6-dimethylphenoxy)pyrimidine-4-carbonitrile
CID 107545976
5-bromo-2-(2,6-dichloro-4-nitrophenoxy)benzonitrile
CID 114891045
2,3,5-trichloro-6-(2,6-dichloro-4-nitrophenoxy)pyridine
CID 102749646
2-(4-cyanophenoxy)pyrimidine-4-carbonitrile
CID 107545693
3-(2,6-dichloro-4-nitrophenoxy)-5-fluorobenzonitrile
CID 102818074
2-(3-bromo-4-fluorophenoxy)-1,3-dichloro-5-nitrobenzene
CID 106891272
1,3-dichloro-5-methyl-2-(4-nitrophenoxy)benzene
CID 57435289

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichloro-4-nitrophenoxy)pyrimidine-4-carbonitrile?
The IUPAC name of 2-(2,6-dichloro-4-nitrophenoxy)pyrimidine-4-carbonitrile (CID 107545900) is 2-(2,6-dichloro-4-nitrophenoxy)pyrimidine-4-carbonitrile.
What is the SMILES notation for 2-(2,6-dichloro-4-nitrophenoxy)pyrimidine-4-carbonitrile?
The canonical SMILES for 2-(2,6-dichloro-4-nitrophenoxy)pyrimidine-4-carbonitrile is N#Cc1ccnc(Oc2c(Cl)cc([N+](=O)[O-])cc2Cl)n1.
What is the InChIKey of 2-(2,6-dichloro-4-nitrophenoxy)pyrimidine-4-carbonitrile?
The InChIKey is XZPNWHOIUULEFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H4Cl2N4O3/c12-8-3-7(17(18)19)4-9(13)10(8)20-11-15-2-1-6(5-14)16-11/h1-4H.
What are the key properties of 2-(2,6-dichloro-4-nitrophenoxy)pyrimidine-4-carbonitrile?
2-(2,6-dichloro-4-nitrophenoxy)pyrimidine-4-carbonitrile has a molecular weight of 311.08 g/mol, XLogP of 3.36, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichloro-4-nitrophenoxy)pyrimidine-4-carbonitrile is sourced from PubChem (CID 107545900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).