2,7-dichloro-8-fluoropyrido[4,3-d]pyrimidin-4-amine

C7H3Cl2FN4 — CID 155630325

IUPAC2,7-dichloro-8-fluoropyrido[4,3-d]pyrimidin-4-amine
SMILESNc1nc(Cl)nc2c(F)c(Cl)ncc12
InChIInChI=1S/C7H3Cl2FN4/c8-5-3(10)4-2(1-12-5)6(11)14-7(9)13-4/h1H,(H2,11,13,14)
InChIKeyYPNSVRPPDVETSJ-UHFFFAOYSA-N
MW233.03 g/mol
LogP2.05
Rot. Bonds

About 2,7-dichloro-8-fluoropyrido[4,3-d]pyrimidin-4-amine

2,7-dichloro-8-fluoropyrido[4,3-d]pyrimidin-4-amine (PubChem CID 155630325) has the molecular formula C7H3Cl2FN4 and a molecular weight of 233.03 g/mol. Its IUPAC name is 2,7-dichloro-8-fluoropyrido[4,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2,7-dichloro-8-fluoropyrido[4,3-d]pyrimidin-4-amine
PubChem CID155630325
Molecular FormulaC7H3Cl2FN4
Molecular Weight233.03 g/mol
Exact Mass231.97
IUPAC Name2,7-dichloro-8-fluoropyrido[4,3-d]pyrimidin-4-amine
SMILESNc1nc(Cl)nc2c(F)c(Cl)ncc12
InChIInChI=1S/C7H3Cl2FN4/c8-5-3(10)4-2(1-12-5)6(11)14-7(9)13-4/h1H,(H2,11,13,14)
InChIKeyYPNSVRPPDVETSJ-UHFFFAOYSA-N
XLogP2.05
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.03
LogP ≤ 52.05
H-Bond Donors ≤ 51
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-fluoropyrido[4,3-d]pyrimidin-4-amine?
The IUPAC name of 2,7-dichloro-8-fluoropyrido[4,3-d]pyrimidin-4-amine (CID 155630325) is 2,7-dichloro-8-fluoropyrido[4,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2,7-dichloro-8-fluoropyrido[4,3-d]pyrimidin-4-amine?
The canonical SMILES for 2,7-dichloro-8-fluoropyrido[4,3-d]pyrimidin-4-amine is Nc1nc(Cl)nc2c(F)c(Cl)ncc12.
What is the InChIKey of 2,7-dichloro-8-fluoropyrido[4,3-d]pyrimidin-4-amine?
The InChIKey is YPNSVRPPDVETSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3Cl2FN4/c8-5-3(10)4-2(1-12-5)6(11)14-7(9)13-4/h1H,(H2,11,13,14).
What are the key properties of 2,7-dichloro-8-fluoropyrido[4,3-d]pyrimidin-4-amine?
2,7-dichloro-8-fluoropyrido[4,3-d]pyrimidin-4-amine has a molecular weight of 233.03 g/mol, XLogP of 2.05, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dichloro-8-fluoropyrido[4,3-d]pyrimidin-4-amine is sourced from PubChem (CID 155630325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).