2-(2-chlorophenyl)pyrimidine-4-carbonyl chloride

C11H6Cl2N2O — CID 150728133

IUPAC2-(2-chlorophenyl)pyrimidine-4-carbonyl chloride
SMILESO=C(Cl)c1ccnc(-c2ccccc2Cl)n1
InChIInChI=1S/C11H6Cl2N2O/c12-8-4-2-1-3-7(8)11-14-6-5-9(15-11)10(13)16/h1-6H
InChIKeyJRGPDYYLADQQKN-UHFFFAOYSA-N
MW253.09 g/mol
LogP3.18
Rot. Bonds2

About 2-(2-chlorophenyl)pyrimidine-4-carbonyl chloride

2-(2-chlorophenyl)pyrimidine-4-carbonyl chloride (PubChem CID 150728133) has the molecular formula C11H6Cl2N2O and a molecular weight of 253.09 g/mol. Its IUPAC name is 2-(2-chlorophenyl)pyrimidine-4-carbonyl chloride.

Molecular Properties

Compound Name2-(2-chlorophenyl)pyrimidine-4-carbonyl chloride
PubChem CID150728133
Molecular FormulaC11H6Cl2N2O
Molecular Weight253.09 g/mol
Exact Mass251.99
IUPAC Name2-(2-chlorophenyl)pyrimidine-4-carbonyl chloride
SMILESO=C(Cl)c1ccnc(-c2ccccc2Cl)n1
InChIInChI=1S/C11H6Cl2N2O/c12-8-4-2-1-3-7(8)11-14-6-5-9(15-11)10(13)16/h1-6H
InChIKeyJRGPDYYLADQQKN-UHFFFAOYSA-N
XLogP3.18
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 ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)pyrimidine-4-carbonyl chloride?
The IUPAC name of 2-(2-chlorophenyl)pyrimidine-4-carbonyl chloride (CID 150728133) is 2-(2-chlorophenyl)pyrimidine-4-carbonyl chloride.
What is the SMILES notation for 2-(2-chlorophenyl)pyrimidine-4-carbonyl chloride?
The canonical SMILES for 2-(2-chlorophenyl)pyrimidine-4-carbonyl chloride is O=C(Cl)c1ccnc(-c2ccccc2Cl)n1.
What is the InChIKey of 2-(2-chlorophenyl)pyrimidine-4-carbonyl chloride?
The InChIKey is JRGPDYYLADQQKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Cl2N2O/c12-8-4-2-1-3-7(8)11-14-6-5-9(15-11)10(13)16/h1-6H.
What are the key properties of 2-(2-chlorophenyl)pyrimidine-4-carbonyl chloride?
2-(2-chlorophenyl)pyrimidine-4-carbonyl chloride has a molecular weight of 253.09 g/mol, XLogP of 3.18, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)pyrimidine-4-carbonyl chloride is sourced from PubChem (CID 150728133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).