5-(2,3-dichlorophenyl)pyrimidine-4-carbonitrile

C11H5Cl2N3 — CID 175882707

IUPAC5-(2,3-dichlorophenyl)pyrimidine-4-carbonitrile
SMILESN#Cc1ncncc1-c1cccc(Cl)c1Cl
InChIInChI=1S/C11H5Cl2N3/c12-9-3-1-2-7(11(9)13)8-5-15-6-16-10(8)4-14/h1-3,5-6H
InChIKeyITCPCPROUWEHJA-UHFFFAOYSA-N
MW250.09 g/mol
LogP3.32
Rot. Bonds1

About 5-(2,3-dichlorophenyl)pyrimidine-4-carbonitrile

5-(2,3-dichlorophenyl)pyrimidine-4-carbonitrile (PubChem CID 175882707) has the molecular formula C11H5Cl2N3 and a molecular weight of 250.09 g/mol. Its IUPAC name is 5-(2,3-dichlorophenyl)pyrimidine-4-carbonitrile.

Molecular Properties

Compound Name5-(2,3-dichlorophenyl)pyrimidine-4-carbonitrile
PubChem CID175882707
Molecular FormulaC11H5Cl2N3
Molecular Weight250.09 g/mol
Exact Mass248.99
IUPAC Name5-(2,3-dichlorophenyl)pyrimidine-4-carbonitrile
SMILESN#Cc1ncncc1-c1cccc(Cl)c1Cl
InChIInChI=1S/C11H5Cl2N3/c12-9-3-1-2-7(11(9)13)8-5-15-6-16-10(8)4-14/h1-3,5-6H
InChIKeyITCPCPROUWEHJA-UHFFFAOYSA-N
XLogP3.32
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.09
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dichlorophenyl)pyrimidine-4-carbonitrile?
The IUPAC name of 5-(2,3-dichlorophenyl)pyrimidine-4-carbonitrile (CID 175882707) is 5-(2,3-dichlorophenyl)pyrimidine-4-carbonitrile.
What is the SMILES notation for 5-(2,3-dichlorophenyl)pyrimidine-4-carbonitrile?
The canonical SMILES for 5-(2,3-dichlorophenyl)pyrimidine-4-carbonitrile is N#Cc1ncncc1-c1cccc(Cl)c1Cl.
What is the InChIKey of 5-(2,3-dichlorophenyl)pyrimidine-4-carbonitrile?
The InChIKey is ITCPCPROUWEHJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5Cl2N3/c12-9-3-1-2-7(11(9)13)8-5-15-6-16-10(8)4-14/h1-3,5-6H.
What are the key properties of 5-(2,3-dichlorophenyl)pyrimidine-4-carbonitrile?
5-(2,3-dichlorophenyl)pyrimidine-4-carbonitrile has a molecular weight of 250.09 g/mol, XLogP of 3.32, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dichlorophenyl)pyrimidine-4-carbonitrile is sourced from PubChem (CID 175882707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).