5-(2,3-dichlorophenyl)pyrimidine-2-carbaldehyde

C11H6Cl2N2O — CID 130088699

IUPAC5-(2,3-dichlorophenyl)pyrimidine-2-carbaldehyde
SMILESO=Cc1ncc(-c2cccc(Cl)c2Cl)cn1
InChIInChI=1S/C11H6Cl2N2O/c12-9-3-1-2-8(11(9)13)7-4-14-10(6-16)15-5-7/h1-6H
InChIKeyUYJRXYFZIXNHDX-UHFFFAOYSA-N
MW253.09 g/mol
LogP3.26
Rot. Bonds2

About 5-(2,3-dichlorophenyl)pyrimidine-2-carbaldehyde

5-(2,3-dichlorophenyl)pyrimidine-2-carbaldehyde (PubChem CID 130088699) has the molecular formula C11H6Cl2N2O and a molecular weight of 253.09 g/mol. Its IUPAC name is 5-(2,3-dichlorophenyl)pyrimidine-2-carbaldehyde.

Molecular Properties

Compound Name5-(2,3-dichlorophenyl)pyrimidine-2-carbaldehyde
PubChem CID130088699
Molecular FormulaC11H6Cl2N2O
Molecular Weight253.09 g/mol
Exact Mass251.99
IUPAC Name5-(2,3-dichlorophenyl)pyrimidine-2-carbaldehyde
SMILESO=Cc1ncc(-c2cccc(Cl)c2Cl)cn1
InChIInChI=1S/C11H6Cl2N2O/c12-9-3-1-2-8(11(9)13)7-4-14-10(6-16)15-5-7/h1-6H
InChIKeyUYJRXYFZIXNHDX-UHFFFAOYSA-N
XLogP3.26
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.09
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

5-(2,3-dichlorophenyl)pyrimidin-2-amine
CID 79022346
5-(2,3-dichlorophenyl)-3-fluoropyridine-2-carbaldehyde
CID 133091105
5-(2,3-dichlorophenyl)-2-methylpyridine
CID 173126972
6-(2,3-dichlorophenyl)pyridine-3-carbaldehyde
CID 24730313
1-[5-(2,3-dichlorophenyl)-2-pyridinyl]ethanone
CID 71011699
5-phenylpyrimidine-2-carbaldehyde
CID 83915148
2-(2,3-dichlorophenyl)-5-methylpyridine-3-carbaldehyde
CID 118841863
5-(2,3-dichlorophenyl)-6-fluoropyridine-3-carbaldehyde
CID 133090767
3-(2,3-dichlorophenyl)quinoline
CID 175328556
5-(2,3-dichlorophenyl)-3-fluoro-2-methoxypyridine
CID 133091081
5-(2,3-dichlorophenyl)-2-methoxypyridin-3-amine
CID 133087146
1-[5-(2,3-dichlorophenyl)-2-pyridinyl]pyrrolidine-2,5-dione
CID 45486192

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dichlorophenyl)pyrimidine-2-carbaldehyde?
The IUPAC name of 5-(2,3-dichlorophenyl)pyrimidine-2-carbaldehyde (CID 130088699) is 5-(2,3-dichlorophenyl)pyrimidine-2-carbaldehyde.
What is the SMILES notation for 5-(2,3-dichlorophenyl)pyrimidine-2-carbaldehyde?
The canonical SMILES for 5-(2,3-dichlorophenyl)pyrimidine-2-carbaldehyde is O=Cc1ncc(-c2cccc(Cl)c2Cl)cn1.
What is the InChIKey of 5-(2,3-dichlorophenyl)pyrimidine-2-carbaldehyde?
The InChIKey is UYJRXYFZIXNHDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Cl2N2O/c12-9-3-1-2-8(11(9)13)7-4-14-10(6-16)15-5-7/h1-6H.
What are the key properties of 5-(2,3-dichlorophenyl)pyrimidine-2-carbaldehyde?
5-(2,3-dichlorophenyl)pyrimidine-2-carbaldehyde has a molecular weight of 253.09 g/mol, XLogP of 3.26, 2 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-2-carbaldehyde is sourced from PubChem (CID 130088699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).