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

C11H10Cl2FN3O — CID 167468475

IUPAC2,7-dichloro-8-fluoro-4-[(2-methylpropan-2-yl)oxy]pyrido[4,3-d]pyrimidine
SMILESCC(C)(C)Oc1nc(Cl)nc2c(F)c(Cl)ncc12
InChIInChI=1S/C11H10Cl2FN3O/c1-11(2,3)18-9-5-4-15-8(12)6(14)7(5)16-10(13)17-9/h4H,1-3H3
InChIKeyAKVBSTUVZUTESQ-UHFFFAOYSA-N
MW290.13 g/mol
LogP3.65
Rot. Bonds1

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

2,7-dichloro-8-fluoro-4-[(2-methylpropan-2-yl)oxy]pyrido[4,3-d]pyrimidine (PubChem CID 167468475) has the molecular formula C11H10Cl2FN3O and a molecular weight of 290.13 g/mol. Its IUPAC name is 2,7-dichloro-8-fluoro-4-[(2-methylpropan-2-yl)oxy]pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name2,7-dichloro-8-fluoro-4-[(2-methylpropan-2-yl)oxy]pyrido[4,3-d]pyrimidine
PubChem CID167468475
Molecular FormulaC11H10Cl2FN3O
Molecular Weight290.13 g/mol
Exact Mass289.02
IUPAC Name2,7-dichloro-8-fluoro-4-[(2-methylpropan-2-yl)oxy]pyrido[4,3-d]pyrimidine
SMILESCC(C)(C)Oc1nc(Cl)nc2c(F)c(Cl)ncc12
InChIInChI=1S/C11H10Cl2FN3O/c1-11(2,3)18-9-5-4-15-8(12)6(14)7(5)16-10(13)17-9/h4H,1-3H3
InChIKeyAKVBSTUVZUTESQ-UHFFFAOYSA-N
XLogP3.65
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.13
LogP ≤ 53.65
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

4-(Benzyloxy)-2,7-dichloro-8-fluoropyrido[4,3-d]pyrimidine
CID 156117446
2,4-Dichloro-6-(2,4-difluoro-phenoxy)-pyrido[3,4-d]pyrimidine
CID 18440621
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
7-Chloro-8-fluoro-2-methoxy-4-(2,2,2-trifluoroethoxy)pyrido[4,3-d]pyrimidine
CID 164534411
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

Frequently Asked Questions

What is the IUPAC name of 2,7-dichloro-8-fluoro-4-[(2-methylpropan-2-yl)oxy]pyrido[4,3-d]pyrimidine?
The IUPAC name of 2,7-dichloro-8-fluoro-4-[(2-methylpropan-2-yl)oxy]pyrido[4,3-d]pyrimidine (CID 167468475) is 2,7-dichloro-8-fluoro-4-[(2-methylpropan-2-yl)oxy]pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 2,7-dichloro-8-fluoro-4-[(2-methylpropan-2-yl)oxy]pyrido[4,3-d]pyrimidine?
The canonical SMILES for 2,7-dichloro-8-fluoro-4-[(2-methylpropan-2-yl)oxy]pyrido[4,3-d]pyrimidine is CC(C)(C)Oc1nc(Cl)nc2c(F)c(Cl)ncc12.
What is the InChIKey of 2,7-dichloro-8-fluoro-4-[(2-methylpropan-2-yl)oxy]pyrido[4,3-d]pyrimidine?
The InChIKey is AKVBSTUVZUTESQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2FN3O/c1-11(2,3)18-9-5-4-15-8(12)6(14)7(5)16-10(13)17-9/h4H,1-3H3.
What are the key properties of 2,7-dichloro-8-fluoro-4-[(2-methylpropan-2-yl)oxy]pyrido[4,3-d]pyrimidine?
2,7-dichloro-8-fluoro-4-[(2-methylpropan-2-yl)oxy]pyrido[4,3-d]pyrimidine has a molecular weight of 290.13 g/mol, XLogP of 3.65, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dichloro-8-fluoro-4-[(2-methylpropan-2-yl)oxy]pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 167468475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).