2,7-dichloro-8-fluoro-4-(3-methylpiperidin-1-yl)pyrido[4,3-d]pyrimidine

C13H13Cl2FN4 — CID 164534264

IUPAC2,7-dichloro-8-fluoro-4-(3-methylpiperidin-1-yl)pyrido[4,3-d]pyrimidine
SMILESCC1CCCN(c2nc(Cl)nc3c(F)c(Cl)ncc23)C1
InChIInChI=1S/C13H13Cl2FN4/c1-7-3-2-4-20(6-7)12-8-5-17-11(14)9(16)10(8)18-13(15)19-12/h5,7H,2-4,6H2,1H3
InChIKeyAQLKZEMIEDXZIN-UHFFFAOYSA-N
MW315.18 g/mol
LogP3.71
Rot. Bonds1

About 2,7-dichloro-8-fluoro-4-(3-methylpiperidin-1-yl)pyrido[4,3-d]pyrimidine

2,7-dichloro-8-fluoro-4-(3-methylpiperidin-1-yl)pyrido[4,3-d]pyrimidine (PubChem CID 164534264) has the molecular formula C13H13Cl2FN4 and a molecular weight of 315.18 g/mol. Its IUPAC name is 2,7-dichloro-8-fluoro-4-(3-methylpiperidin-1-yl)pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name2,7-dichloro-8-fluoro-4-(3-methylpiperidin-1-yl)pyrido[4,3-d]pyrimidine
PubChem CID164534264
Molecular FormulaC13H13Cl2FN4
Molecular Weight315.18 g/mol
Exact Mass314.05
IUPAC Name2,7-dichloro-8-fluoro-4-(3-methylpiperidin-1-yl)pyrido[4,3-d]pyrimidine
SMILESCC1CCCN(c2nc(Cl)nc3c(F)c(Cl)ncc23)C1
InChIInChI=1S/C13H13Cl2FN4/c1-7-3-2-4-20(6-7)12-8-5-17-11(14)9(16)10(8)18-13(15)19-12/h5,7H,2-4,6H2,1H3
InChIKeyAQLKZEMIEDXZIN-UHFFFAOYSA-N
XLogP3.71
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.18
LogP ≤ 53.71
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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Frequently Asked Questions

What is the IUPAC name of 2,7-dichloro-8-fluoro-4-(3-methylpiperidin-1-yl)pyrido[4,3-d]pyrimidine?
The IUPAC name of 2,7-dichloro-8-fluoro-4-(3-methylpiperidin-1-yl)pyrido[4,3-d]pyrimidine (CID 164534264) is 2,7-dichloro-8-fluoro-4-(3-methylpiperidin-1-yl)pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 2,7-dichloro-8-fluoro-4-(3-methylpiperidin-1-yl)pyrido[4,3-d]pyrimidine?
The canonical SMILES for 2,7-dichloro-8-fluoro-4-(3-methylpiperidin-1-yl)pyrido[4,3-d]pyrimidine is CC1CCCN(c2nc(Cl)nc3c(F)c(Cl)ncc23)C1.
What is the InChIKey of 2,7-dichloro-8-fluoro-4-(3-methylpiperidin-1-yl)pyrido[4,3-d]pyrimidine?
The InChIKey is AQLKZEMIEDXZIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2FN4/c1-7-3-2-4-20(6-7)12-8-5-17-11(14)9(16)10(8)18-13(15)19-12/h5,7H,2-4,6H2,1H3.
What are the key properties of 2,7-dichloro-8-fluoro-4-(3-methylpiperidin-1-yl)pyrido[4,3-d]pyrimidine?
2,7-dichloro-8-fluoro-4-(3-methylpiperidin-1-yl)pyrido[4,3-d]pyrimidine has a molecular weight of 315.18 g/mol, XLogP of 3.71, 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-(3-methylpiperidin-1-yl)pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 164534264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).