2-(5-chloro-5,6-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-amine

C11H9ClFN5 — CID 89000524

IUPAC2-(5-chloro-5,6-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-amine
SMILESNc1nc(-c2c[nH]c3c2=CC(Cl)CN=3)ncc1F
InChIInChI=1S/C11H9ClFN5/c12-5-1-6-7(3-16-10(6)15-2-5)11-17-4-8(13)9(14)18-11/h1,3-5H,2H2,(H,15,16)(H2,14,17,18)
InChIKeyPDAFADGVHHZANV-UHFFFAOYSA-N
MW265.68 g/mol
LogP0.21
Rot. Bonds1

About 2-(5-chloro-5,6-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-amine

2-(5-chloro-5,6-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-amine (PubChem CID 89000524) has the molecular formula C11H9ClFN5 and a molecular weight of 265.68 g/mol. Its IUPAC name is 2-(5-chloro-5,6-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-amine.

Molecular Properties

Compound Name2-(5-chloro-5,6-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-amine
PubChem CID89000524
Molecular FormulaC11H9ClFN5
Molecular Weight265.68 g/mol
Exact Mass265.05
IUPAC Name2-(5-chloro-5,6-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-amine
SMILESNc1nc(-c2c[nH]c3c2=CC(Cl)CN=3)ncc1F
InChIInChI=1S/C11H9ClFN5/c12-5-1-6-7(3-16-10(6)15-2-5)11-17-4-8(13)9(14)18-11/h1,3-5H,2H2,(H,15,16)(H2,14,17,18)
InChIKeyPDAFADGVHHZANV-UHFFFAOYSA-N
XLogP0.21
TPSA79.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.68
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-5,6-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-amine?
The IUPAC name of 2-(5-chloro-5,6-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-amine (CID 89000524) is 2-(5-chloro-5,6-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-amine.
What is the SMILES notation for 2-(5-chloro-5,6-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-amine?
The canonical SMILES for 2-(5-chloro-5,6-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-amine is Nc1nc(-c2c[nH]c3c2=CC(Cl)CN=3)ncc1F.
What is the InChIKey of 2-(5-chloro-5,6-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-amine?
The InChIKey is PDAFADGVHHZANV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClFN5/c12-5-1-6-7(3-16-10(6)15-2-5)11-17-4-8(13)9(14)18-11/h1,3-5H,2H2,(H,15,16)(H2,14,17,18).
What are the key properties of 2-(5-chloro-5,6-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-amine?
2-(5-chloro-5,6-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-amine has a molecular weight of 265.68 g/mol, XLogP of 0.21, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-5,6-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-amine is sourced from PubChem (CID 89000524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).