4,6-dichloro-2-methylpyrimidine-5-carbonyl chloride

C6H3Cl3N2O — CID 58464410

IUPAC4,6-dichloro-2-methylpyrimidine-5-carbonyl chloride
SMILESCc1nc(Cl)c(C(=O)Cl)c(Cl)n1
InChIInChI=1S/C6H3Cl3N2O/c1-2-10-4(7)3(6(9)12)5(8)11-2/h1H3
InChIKeySMUVFDCUZYQISE-UHFFFAOYSA-N
MW225.46 g/mol
LogP2.47
Rot. Bonds1

About 4,6-dichloro-2-methylpyrimidine-5-carbonyl chloride

4,6-dichloro-2-methylpyrimidine-5-carbonyl chloride (PubChem CID 58464410) has the molecular formula C6H3Cl3N2O and a molecular weight of 225.46 g/mol. Its IUPAC name is 4,6-dichloro-2-methylpyrimidine-5-carbonyl chloride.

Molecular Properties

Compound Name4,6-dichloro-2-methylpyrimidine-5-carbonyl chloride
PubChem CID58464410
Molecular FormulaC6H3Cl3N2O
Molecular Weight225.46 g/mol
Exact Mass223.93
IUPAC Name4,6-dichloro-2-methylpyrimidine-5-carbonyl chloride
SMILESCc1nc(Cl)c(C(=O)Cl)c(Cl)n1
InChIInChI=1S/C6H3Cl3N2O/c1-2-10-4(7)3(6(9)12)5(8)11-2/h1H3
InChIKeySMUVFDCUZYQISE-UHFFFAOYSA-N
XLogP2.47
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.46
LogP ≤ 52.47
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 4,6-dichloro-2-methylpyrimidine-5-carbonyl chloride?
The IUPAC name of 4,6-dichloro-2-methylpyrimidine-5-carbonyl chloride (CID 58464410) is 4,6-dichloro-2-methylpyrimidine-5-carbonyl chloride.
What is the SMILES notation for 4,6-dichloro-2-methylpyrimidine-5-carbonyl chloride?
The canonical SMILES for 4,6-dichloro-2-methylpyrimidine-5-carbonyl chloride is Cc1nc(Cl)c(C(=O)Cl)c(Cl)n1.
What is the InChIKey of 4,6-dichloro-2-methylpyrimidine-5-carbonyl chloride?
The InChIKey is SMUVFDCUZYQISE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3Cl3N2O/c1-2-10-4(7)3(6(9)12)5(8)11-2/h1H3.
What are the key properties of 4,6-dichloro-2-methylpyrimidine-5-carbonyl chloride?
4,6-dichloro-2-methylpyrimidine-5-carbonyl chloride has a molecular weight of 225.46 g/mol, XLogP of 2.47, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-2-methylpyrimidine-5-carbonyl chloride is sourced from PubChem (CID 58464410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).