2,6-dichloro-8-(iodomethyl)pyrido[3,2-d]pyrimidine

C8H4Cl2IN3 — CID 154686821

IUPAC2,6-dichloro-8-(iodomethyl)pyrido[3,2-d]pyrimidine
SMILESClc1cc(CI)c2nc(Cl)ncc2n1
InChIInChI=1S/C8H4Cl2IN3/c9-6-1-4(2-11)7-5(13-6)3-12-8(10)14-7/h1,3H,2H2
InChIKeyJJTDXJHQUXVRIJ-UHFFFAOYSA-N
MW339.95 g/mol
LogP3.27
Rot. Bonds1

About 2,6-dichloro-8-(iodomethyl)pyrido[3,2-d]pyrimidine

2,6-dichloro-8-(iodomethyl)pyrido[3,2-d]pyrimidine (PubChem CID 154686821) has the molecular formula C8H4Cl2IN3 and a molecular weight of 339.95 g/mol. Its IUPAC name is 2,6-dichloro-8-(iodomethyl)pyrido[3,2-d]pyrimidine.

Molecular Properties

Compound Name2,6-dichloro-8-(iodomethyl)pyrido[3,2-d]pyrimidine
PubChem CID154686821
Molecular FormulaC8H4Cl2IN3
Molecular Weight339.95 g/mol
Exact Mass338.88
IUPAC Name2,6-dichloro-8-(iodomethyl)pyrido[3,2-d]pyrimidine
SMILESClc1cc(CI)c2nc(Cl)ncc2n1
InChIInChI=1S/C8H4Cl2IN3/c9-6-1-4(2-11)7-5(13-6)3-12-8(10)14-7/h1,3H,2H2
InChIKeyJJTDXJHQUXVRIJ-UHFFFAOYSA-N
XLogP3.27
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.95
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-8-(iodomethyl)pyrido[3,2-d]pyrimidine?
The IUPAC name of 2,6-dichloro-8-(iodomethyl)pyrido[3,2-d]pyrimidine (CID 154686821) is 2,6-dichloro-8-(iodomethyl)pyrido[3,2-d]pyrimidine.
What is the SMILES notation for 2,6-dichloro-8-(iodomethyl)pyrido[3,2-d]pyrimidine?
The canonical SMILES for 2,6-dichloro-8-(iodomethyl)pyrido[3,2-d]pyrimidine is Clc1cc(CI)c2nc(Cl)ncc2n1.
What is the InChIKey of 2,6-dichloro-8-(iodomethyl)pyrido[3,2-d]pyrimidine?
The InChIKey is JJTDXJHQUXVRIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4Cl2IN3/c9-6-1-4(2-11)7-5(13-6)3-12-8(10)14-7/h1,3H,2H2.
What are the key properties of 2,6-dichloro-8-(iodomethyl)pyrido[3,2-d]pyrimidine?
2,6-dichloro-8-(iodomethyl)pyrido[3,2-d]pyrimidine has a molecular weight of 339.95 g/mol, XLogP of 3.27, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-8-(iodomethyl)pyrido[3,2-d]pyrimidine is sourced from PubChem (CID 154686821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).