5-chloro-1-[(2,6-dichloro-3-pyridinyl)methyl]pyrimidine-2,4-dione

C10H6Cl3N3O2 — CID 106994229

IUPAC5-chloro-1-[(2,6-dichloro-3-pyridinyl)methyl]pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(Cc2ccc(Cl)nc2Cl)cc1Cl
InChIInChI=1S/C10H6Cl3N3O2/c11-6-4-16(10(18)15-9(6)17)3-5-1-2-7(12)14-8(5)13/h1-2,4H,3H2,(H,15,17,18)
InChIKeyVHSQGCCWSPZVCU-UHFFFAOYSA-N
MW306.54 g/mol
LogP1.94
Rot. Bonds2

About 5-chloro-1-[(2,6-dichloro-3-pyridinyl)methyl]pyrimidine-2,4-dione

5-chloro-1-[(2,6-dichloro-3-pyridinyl)methyl]pyrimidine-2,4-dione (PubChem CID 106994229) has the molecular formula C10H6Cl3N3O2 and a molecular weight of 306.54 g/mol. Its IUPAC name is 5-chloro-1-[(2,6-dichloro-3-pyridinyl)methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-chloro-1-[(2,6-dichloro-3-pyridinyl)methyl]pyrimidine-2,4-dione
PubChem CID106994229
Molecular FormulaC10H6Cl3N3O2
Molecular Weight306.54 g/mol
Exact Mass304.95
IUPAC Name5-chloro-1-[(2,6-dichloro-3-pyridinyl)methyl]pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(Cc2ccc(Cl)nc2Cl)cc1Cl
InChIInChI=1S/C10H6Cl3N3O2/c11-6-4-16(10(18)15-9(6)17)3-5-1-2-7(12)14-8(5)13/h1-2,4H,3H2,(H,15,17,18)
InChIKeyVHSQGCCWSPZVCU-UHFFFAOYSA-N
XLogP1.94
TPSA67.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.54
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-[(2,6-dichloro-3-pyridinyl)methyl]pyrimidine-2,4-dione?
The IUPAC name of 5-chloro-1-[(2,6-dichloro-3-pyridinyl)methyl]pyrimidine-2,4-dione (CID 106994229) is 5-chloro-1-[(2,6-dichloro-3-pyridinyl)methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 5-chloro-1-[(2,6-dichloro-3-pyridinyl)methyl]pyrimidine-2,4-dione?
The canonical SMILES for 5-chloro-1-[(2,6-dichloro-3-pyridinyl)methyl]pyrimidine-2,4-dione is O=c1[nH]c(=O)n(Cc2ccc(Cl)nc2Cl)cc1Cl.
What is the InChIKey of 5-chloro-1-[(2,6-dichloro-3-pyridinyl)methyl]pyrimidine-2,4-dione?
The InChIKey is VHSQGCCWSPZVCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Cl3N3O2/c11-6-4-16(10(18)15-9(6)17)3-5-1-2-7(12)14-8(5)13/h1-2,4H,3H2,(H,15,17,18).
What are the key properties of 5-chloro-1-[(2,6-dichloro-3-pyridinyl)methyl]pyrimidine-2,4-dione?
5-chloro-1-[(2,6-dichloro-3-pyridinyl)methyl]pyrimidine-2,4-dione has a molecular weight of 306.54 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-[(2,6-dichloro-3-pyridinyl)methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 106994229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).