2-(5-bromo-2-fluorophenyl)pteridine-4-carbaldehyde

C13H6BrFN4O — CID 174559883

IUPAC2-(5-bromo-2-fluorophenyl)pteridine-4-carbaldehyde
SMILESO=Cc1nc(-c2cc(Br)ccc2F)nc2nccnc12
InChIInChI=1S/C13H6BrFN4O/c14-7-1-2-9(15)8(5-7)12-18-10(6-20)11-13(19-12)17-4-3-16-11/h1-6H
InChIKeyCRBDQTPIOWSWPX-UHFFFAOYSA-N
MW333.12 g/mol
LogP2.80
Rot. Bonds2

About 2-(5-bromo-2-fluorophenyl)pteridine-4-carbaldehyde

2-(5-bromo-2-fluorophenyl)pteridine-4-carbaldehyde (PubChem CID 174559883) has the molecular formula C13H6BrFN4O and a molecular weight of 333.12 g/mol. Its IUPAC name is 2-(5-bromo-2-fluorophenyl)pteridine-4-carbaldehyde.

Molecular Properties

Compound Name2-(5-bromo-2-fluorophenyl)pteridine-4-carbaldehyde
PubChem CID174559883
Molecular FormulaC13H6BrFN4O
Molecular Weight333.12 g/mol
Exact Mass331.97
IUPAC Name2-(5-bromo-2-fluorophenyl)pteridine-4-carbaldehyde
SMILESO=Cc1nc(-c2cc(Br)ccc2F)nc2nccnc12
InChIInChI=1S/C13H6BrFN4O/c14-7-1-2-9(15)8(5-7)12-18-10(6-20)11-13(19-12)17-4-3-16-11/h1-6H
InChIKeyCRBDQTPIOWSWPX-UHFFFAOYSA-N
XLogP2.80
TPSA68.63 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.12
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-fluorophenyl)pteridine-4-carbaldehyde?
The IUPAC name of 2-(5-bromo-2-fluorophenyl)pteridine-4-carbaldehyde (CID 174559883) is 2-(5-bromo-2-fluorophenyl)pteridine-4-carbaldehyde.
What is the SMILES notation for 2-(5-bromo-2-fluorophenyl)pteridine-4-carbaldehyde?
The canonical SMILES for 2-(5-bromo-2-fluorophenyl)pteridine-4-carbaldehyde is O=Cc1nc(-c2cc(Br)ccc2F)nc2nccnc12.
What is the InChIKey of 2-(5-bromo-2-fluorophenyl)pteridine-4-carbaldehyde?
The InChIKey is CRBDQTPIOWSWPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6BrFN4O/c14-7-1-2-9(15)8(5-7)12-18-10(6-20)11-13(19-12)17-4-3-16-11/h1-6H.
What are the key properties of 2-(5-bromo-2-fluorophenyl)pteridine-4-carbaldehyde?
2-(5-bromo-2-fluorophenyl)pteridine-4-carbaldehyde has a molecular weight of 333.12 g/mol, XLogP of 2.80, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-fluorophenyl)pteridine-4-carbaldehyde is sourced from PubChem (CID 174559883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).