4,7-dichloro-8-fluoro-2-(trifluoromethyl)pyrido[4,3-d]pyrimidine

C8HCl2F4N3 — CID 154644376

IUPAC4,7-dichloro-8-fluoro-2-(trifluoromethyl)pyrido[4,3-d]pyrimidine
SMILESFc1c(Cl)ncc2c(Cl)nc(C(F)(F)F)nc12
InChIInChI=1S/C8HCl2F4N3/c9-5-2-1-15-6(10)3(11)4(2)16-7(17-5)8(12,13)14/h1H
InChIKeyUYFRJIQQPCKCAO-UHFFFAOYSA-N
MW286.02 g/mol
LogP3.49
Rot. Bonds

About 4,7-dichloro-8-fluoro-2-(trifluoromethyl)pyrido[4,3-d]pyrimidine

4,7-dichloro-8-fluoro-2-(trifluoromethyl)pyrido[4,3-d]pyrimidine (PubChem CID 154644376) has the molecular formula C8HCl2F4N3 and a molecular weight of 286.02 g/mol. Its IUPAC name is 4,7-dichloro-8-fluoro-2-(trifluoromethyl)pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name4,7-dichloro-8-fluoro-2-(trifluoromethyl)pyrido[4,3-d]pyrimidine
PubChem CID154644376
Molecular FormulaC8HCl2F4N3
Molecular Weight286.02 g/mol
Exact Mass284.95
IUPAC Name4,7-dichloro-8-fluoro-2-(trifluoromethyl)pyrido[4,3-d]pyrimidine
SMILESFc1c(Cl)ncc2c(Cl)nc(C(F)(F)F)nc12
InChIInChI=1S/C8HCl2F4N3/c9-5-2-1-15-6(10)3(11)4(2)16-7(17-5)8(12,13)14/h1H
InChIKeyUYFRJIQQPCKCAO-UHFFFAOYSA-N
XLogP3.49
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.02
LogP ≤ 53.49
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

4-Chloro-2-(pyridin-4-yl)quinazoline
CID 4736849
2,4-Dichloro-pyrido[2,3-d]pyrimidine
CID 22222228
2,4,7-Trichloro-8-fluoropyrido(4,3-d)pyrimidine
CID 154644243
4-Chloro-2-(pyridin-4-yl)-6-(trifluoromethyl)pyrimidine
CID 1485989
4-Chloro-2-(pyridin-3-yl)quinazoline
CID 743764
4-Chloro-2-(pyridin-3-yl)-6-(trifluoromethyl)pyrimidine
CID 1485990
4,6-Dichloropyrido[3,4-d]pyrimidine
CID 10821876
8-Bromo-4-chloropyrido[4,3-d]pyrimidine
CID 86675691
2,4,6-Trichloropyrido[3,4-d]pyrimidine
CID 134830418
5-Methyl-4-(trifluoromethyl)pyrido[4,3-d]pyrimidine
CID 45490283
5-Chloropyrido[4,3-d]pyrimidine
CID 55265596
4-Methyl-5-(trifluoromethyl)pyrido[4,3-d]pyrimidine
CID 91973249

Frequently Asked Questions

What is the IUPAC name of 4,7-dichloro-8-fluoro-2-(trifluoromethyl)pyrido[4,3-d]pyrimidine?
The IUPAC name of 4,7-dichloro-8-fluoro-2-(trifluoromethyl)pyrido[4,3-d]pyrimidine (CID 154644376) is 4,7-dichloro-8-fluoro-2-(trifluoromethyl)pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 4,7-dichloro-8-fluoro-2-(trifluoromethyl)pyrido[4,3-d]pyrimidine?
The canonical SMILES for 4,7-dichloro-8-fluoro-2-(trifluoromethyl)pyrido[4,3-d]pyrimidine is Fc1c(Cl)ncc2c(Cl)nc(C(F)(F)F)nc12.
What is the InChIKey of 4,7-dichloro-8-fluoro-2-(trifluoromethyl)pyrido[4,3-d]pyrimidine?
The InChIKey is UYFRJIQQPCKCAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8HCl2F4N3/c9-5-2-1-15-6(10)3(11)4(2)16-7(17-5)8(12,13)14/h1H.
What are the key properties of 4,7-dichloro-8-fluoro-2-(trifluoromethyl)pyrido[4,3-d]pyrimidine?
4,7-dichloro-8-fluoro-2-(trifluoromethyl)pyrido[4,3-d]pyrimidine has a molecular weight of 286.02 g/mol, XLogP of 3.49, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dichloro-8-fluoro-2-(trifluoromethyl)pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 154644376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).