2,4,7-trichloro-8-fluoropyrido[4,3-d]pyrimidine

C7HCl3FN3 — CID 154644243

IUPAC2,4,7-trichloro-8-fluoropyrido[4,3-d]pyrimidine
SMILESFc1c(Cl)ncc2c(Cl)nc(Cl)nc12
InChIInChI=1S/C7HCl3FN3/c8-5-2-1-12-6(9)3(11)4(2)13-7(10)14-5/h1H
InChIKeyILTXDPMYCUSDQV-UHFFFAOYSA-N
MW252.46 g/mol
LogP3.12
Rot. Bonds

About 2,4,7-trichloro-8-fluoropyrido[4,3-d]pyrimidine

2,4,7-trichloro-8-fluoropyrido[4,3-d]pyrimidine (PubChem CID 154644243) has the molecular formula C7HCl3FN3 and a molecular weight of 252.46 g/mol. Its IUPAC name is 2,4,7-trichloro-8-fluoropyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name2,4,7-trichloro-8-fluoropyrido[4,3-d]pyrimidine
PubChem CID154644243
Molecular FormulaC7HCl3FN3
Molecular Weight252.46 g/mol
Exact Mass250.92
IUPAC Name2,4,7-trichloro-8-fluoropyrido[4,3-d]pyrimidine
SMILESFc1c(Cl)ncc2c(Cl)nc(Cl)nc12
InChIInChI=1S/C7HCl3FN3/c8-5-2-1-12-6(9)3(11)4(2)13-7(10)14-5/h1H
InChIKeyILTXDPMYCUSDQV-UHFFFAOYSA-N
XLogP3.12
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.46
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 10821876
CID 19939133
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CID 71741586
CID 71741586
CID 86675691
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CID 86811537
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CID 134830418
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CID 19883218
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CID 640828
CID 640828

Frequently Asked Questions

What is the IUPAC name of 2,4,7-trichloro-8-fluoropyrido[4,3-d]pyrimidine?
The IUPAC name of 2,4,7-trichloro-8-fluoropyrido[4,3-d]pyrimidine (CID 154644243) is 2,4,7-trichloro-8-fluoropyrido[4,3-d]pyrimidine.
What is the SMILES notation for 2,4,7-trichloro-8-fluoropyrido[4,3-d]pyrimidine?
The canonical SMILES for 2,4,7-trichloro-8-fluoropyrido[4,3-d]pyrimidine is Fc1c(Cl)ncc2c(Cl)nc(Cl)nc12.
What is the InChIKey of 2,4,7-trichloro-8-fluoropyrido[4,3-d]pyrimidine?
The InChIKey is ILTXDPMYCUSDQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7HCl3FN3/c8-5-2-1-12-6(9)3(11)4(2)13-7(10)14-5/h1H.
What are the key properties of 2,4,7-trichloro-8-fluoropyrido[4,3-d]pyrimidine?
2,4,7-trichloro-8-fluoropyrido[4,3-d]pyrimidine has a molecular weight of 252.46 g/mol, XLogP of 3.12, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,7-trichloro-8-fluoropyrido[4,3-d]pyrimidine is sourced from PubChem (CID 154644243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).