2,4,7-trichloro-8-fluoro-5-methoxypyrido[4,3-d]pyrimidine

C8H3Cl3FN3O — CID 166069196

IUPAC2,4,7-trichloro-8-fluoro-5-methoxypyrido[4,3-d]pyrimidine
SMILESCOc1nc(Cl)c(F)c2nc(Cl)nc(Cl)c12
InChIInChI=1S/C8H3Cl3FN3O/c1-16-7-2-4(3(12)6(10)14-7)13-8(11)15-5(2)9/h1H3
InChIKeyYBOJCDGFEDMCDV-UHFFFAOYSA-N
MW282.49 g/mol
LogP3.13
Rot. Bonds1

About 2,4,7-trichloro-8-fluoro-5-methoxypyrido[4,3-d]pyrimidine

2,4,7-trichloro-8-fluoro-5-methoxypyrido[4,3-d]pyrimidine (PubChem CID 166069196) has the molecular formula C8H3Cl3FN3O and a molecular weight of 282.49 g/mol. Its IUPAC name is 2,4,7-trichloro-8-fluoro-5-methoxypyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name2,4,7-trichloro-8-fluoro-5-methoxypyrido[4,3-d]pyrimidine
PubChem CID166069196
Molecular FormulaC8H3Cl3FN3O
Molecular Weight282.49 g/mol
Exact Mass280.93
IUPAC Name2,4,7-trichloro-8-fluoro-5-methoxypyrido[4,3-d]pyrimidine
SMILESCOc1nc(Cl)c(F)c2nc(Cl)nc(Cl)c12
InChIInChI=1S/C8H3Cl3FN3O/c1-16-7-2-4(3(12)6(10)14-7)13-8(11)15-5(2)9/h1H3
InChIKeyYBOJCDGFEDMCDV-UHFFFAOYSA-N
XLogP3.13
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.49
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,4-Dichloro-6-fluoro-7-methoxypyrido[2,3-d]pyrimidine
CID 141311433
2,7-Dichloro-8-fluoro-4-(2,2,2-trifluoroethoxy)pyrido[4,3-D]pyrimidine
CID 156117194
7-Chloro-8-fluoro-2-methoxy-4-(2,2,2-trifluoroethoxy)pyrido[4,3-d]pyrimidine
CID 164534411
Pyrido[4,3-d]pyrimidine, 2,7-dichloro-8-fluoro-4-[2-(trimethylsilyl)ethoxy]-
CID 164922803
4-(Tert-butoxy)-2,7-dichloro-8-fluoropyrido[4,3-D]pyrimidine
CID 167468475
2,7-Dichloro-8-fluoro-4-methoxypyrido[4,3-d]pyrimidine
CID 168152730
4,7-Dichloro-8-fluoro-5-methoxy-2-methylsulfanylpyrido[4,3-d]pyrimidine
CID 168908143
7-Chloro-8-fluoro-5-methoxy-2-methylsulfanyl-4-piperidin-1-ylpyrido[4,3-d]pyrimidine
CID 169184888
(7-Chloro-8-fluoro-4-methoxypyrido[4,3-d]pyrimidin-2-yl) thiohypofluorite
CID 169255559
5-Bromo-7-chloro-2-ethylsulfanyl-8-fluoro-4-methoxypyrido[4,3-d]pyrimidine
CID 169314939
7-Chloro-2,4-diethoxy-8-fluoropyrido[4,3-d]pyrimidine
CID 169314955
Pyrido[4,3-d]pyrimidine, 7-chloro-8-fluoro-2,4-dimethoxy-
CID 169314991

Frequently Asked Questions

What is the IUPAC name of 2,4,7-trichloro-8-fluoro-5-methoxypyrido[4,3-d]pyrimidine?
The IUPAC name of 2,4,7-trichloro-8-fluoro-5-methoxypyrido[4,3-d]pyrimidine (CID 166069196) is 2,4,7-trichloro-8-fluoro-5-methoxypyrido[4,3-d]pyrimidine.
What is the SMILES notation for 2,4,7-trichloro-8-fluoro-5-methoxypyrido[4,3-d]pyrimidine?
The canonical SMILES for 2,4,7-trichloro-8-fluoro-5-methoxypyrido[4,3-d]pyrimidine is COc1nc(Cl)c(F)c2nc(Cl)nc(Cl)c12.
What is the InChIKey of 2,4,7-trichloro-8-fluoro-5-methoxypyrido[4,3-d]pyrimidine?
The InChIKey is YBOJCDGFEDMCDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3Cl3FN3O/c1-16-7-2-4(3(12)6(10)14-7)13-8(11)15-5(2)9/h1H3.
What are the key properties of 2,4,7-trichloro-8-fluoro-5-methoxypyrido[4,3-d]pyrimidine?
2,4,7-trichloro-8-fluoro-5-methoxypyrido[4,3-d]pyrimidine has a molecular weight of 282.49 g/mol, XLogP of 3.13, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,7-trichloro-8-fluoro-5-methoxypyrido[4,3-d]pyrimidine is sourced from PubChem (CID 166069196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).