7-chloro-8-fluoro-2-methoxy-4-(2,2,2-trifluoroethoxy)pyrido[4,3-d]pyrimidine

C10H6ClF4N3O2 — CID 164534411

IUPAC7-chloro-8-fluoro-2-methoxy-4-(2,2,2-trifluoroethoxy)pyrido[4,3-d]pyrimidine
SMILESCOc1nc(OCC(F)(F)F)c2cnc(Cl)c(F)c2n1
InChIInChI=1S/C10H6ClF4N3O2/c1-19-9-17-6-4(2-16-7(11)5(6)12)8(18-9)20-3-10(13,14)15/h2H,3H2,1H3
InChIKeyXOQPCEZOXUZIHX-UHFFFAOYSA-N
MW311.62 g/mol
LogP2.77
Rot. Bonds3

About 7-chloro-8-fluoro-2-methoxy-4-(2,2,2-trifluoroethoxy)pyrido[4,3-d]pyrimidine

7-chloro-8-fluoro-2-methoxy-4-(2,2,2-trifluoroethoxy)pyrido[4,3-d]pyrimidine (PubChem CID 164534411) has the molecular formula C10H6ClF4N3O2 and a molecular weight of 311.62 g/mol. Its IUPAC name is 7-chloro-8-fluoro-2-methoxy-4-(2,2,2-trifluoroethoxy)pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name7-chloro-8-fluoro-2-methoxy-4-(2,2,2-trifluoroethoxy)pyrido[4,3-d]pyrimidine
PubChem CID164534411
Molecular FormulaC10H6ClF4N3O2
Molecular Weight311.62 g/mol
Exact Mass311.01
IUPAC Name7-chloro-8-fluoro-2-methoxy-4-(2,2,2-trifluoroethoxy)pyrido[4,3-d]pyrimidine
SMILESCOc1nc(OCC(F)(F)F)c2cnc(Cl)c(F)c2n1
InChIInChI=1S/C10H6ClF4N3O2/c1-19-9-17-6-4(2-16-7(11)5(6)12)8(18-9)20-3-10(13,14)15/h2H,3H2,1H3
InChIKeyXOQPCEZOXUZIHX-UHFFFAOYSA-N
XLogP2.77
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.62
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(Benzyloxy)-2,7-dichloro-8-fluoropyrido[4,3-d]pyrimidine
CID 156117446
2,4,7-Trichloro-8-(2,2,2-trifluoroethoxy)pyrido[4,3-d]pyrimidine
CID 154644464
2,7-Dichloro-8-fluoro-4-(2,2,2-trifluoroethoxy)pyrido[4,3-D]pyrimidine
CID 156117194
7-Chloro-8-fluoro-2-[(1-methylpyrrolidin-2-yl)methoxy]-4-phenylmethoxypyrido[4,3-d]pyrimidine
CID 156117213
7-chloro-8-fluoro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-phenylmethoxypyrido[4,3-d]pyrimidine
CID 156117215
7-Chloro-8-fluoro-2-((tetrahydro-1H-pyrrolizin-7a(5H)-yl)methoxy)-4-(2,2,2-trifluoroethoxy)pyrido[4,3-d]pyrimidine
CID 156117410
7-Chloro-8-fluoro-2-methyl-4-phenylmethoxypyrido[4,3-d]pyrimidine
CID 156645591
4-(2,2,2-Trifluoroethoxy)pyrido[4,3-d]pyrimidine
CID 156645676
7-chloro-8-fluoro-2-methoxy-4-(2,2,2-trifluoroethoxy)pyrido[4,3-d]pyrimidine;2-fluoro-2,3,5,6,7,8-hexahydro-1H-pyrrolizine
CID 164534410
1-[1-[[7-chloro-8-fluoro-4-(2,2,2-trifluoroethoxy)pyrido[4,3-d]pyrimidin-2-yl]oxymethyl]cyclopropyl]-N,N-dimethylmethanamine;ethane
CID 164534423
1-[1-[[7-chloro-8-fluoro-4-(2,2,2-trifluoroethoxy)pyrido[4,3-d]pyrimidin-2-yl]oxymethyl]cyclopropyl]-N,N-dimethylmethanamine
CID 164534424
7-Chloro-8-fluoro-2-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methoxy]-4-(2,2,2-trifluoroethoxy)pyrido[4,3-d]pyrimidine
CID 164535124

Frequently Asked Questions

What is the IUPAC name of 7-chloro-8-fluoro-2-methoxy-4-(2,2,2-trifluoroethoxy)pyrido[4,3-d]pyrimidine?
The IUPAC name of 7-chloro-8-fluoro-2-methoxy-4-(2,2,2-trifluoroethoxy)pyrido[4,3-d]pyrimidine (CID 164534411) is 7-chloro-8-fluoro-2-methoxy-4-(2,2,2-trifluoroethoxy)pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 7-chloro-8-fluoro-2-methoxy-4-(2,2,2-trifluoroethoxy)pyrido[4,3-d]pyrimidine?
The canonical SMILES for 7-chloro-8-fluoro-2-methoxy-4-(2,2,2-trifluoroethoxy)pyrido[4,3-d]pyrimidine is COc1nc(OCC(F)(F)F)c2cnc(Cl)c(F)c2n1.
What is the InChIKey of 7-chloro-8-fluoro-2-methoxy-4-(2,2,2-trifluoroethoxy)pyrido[4,3-d]pyrimidine?
The InChIKey is XOQPCEZOXUZIHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClF4N3O2/c1-19-9-17-6-4(2-16-7(11)5(6)12)8(18-9)20-3-10(13,14)15/h2H,3H2,1H3.
What are the key properties of 7-chloro-8-fluoro-2-methoxy-4-(2,2,2-trifluoroethoxy)pyrido[4,3-d]pyrimidine?
7-chloro-8-fluoro-2-methoxy-4-(2,2,2-trifluoroethoxy)pyrido[4,3-d]pyrimidine has a molecular weight of 311.62 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-8-fluoro-2-methoxy-4-(2,2,2-trifluoroethoxy)pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 164534411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).