2-pyridin-2-ylpyrimidine-4-carbaldehyde

C10H7N3O — CID 18966373

IUPAC2-pyridin-2-ylpyrimidine-4-carbaldehyde
SMILESO=Cc1ccnc(-c2ccccn2)n1
InChIInChI=1S/C10H7N3O/c14-7-8-4-6-12-10(13-8)9-3-1-2-5-11-9/h1-7H
InChIKeyBGBLDQHLXNRTCU-UHFFFAOYSA-N
MW185.19 g/mol
LogP1.35
Rot. Bonds2

About 2-pyridin-2-ylpyrimidine-4-carbaldehyde

2-pyridin-2-ylpyrimidine-4-carbaldehyde (PubChem CID 18966373) has the molecular formula C10H7N3O and a molecular weight of 185.19 g/mol. Its IUPAC name is 2-pyridin-2-ylpyrimidine-4-carbaldehyde.

Molecular Properties

Compound Name2-pyridin-2-ylpyrimidine-4-carbaldehyde
PubChem CID18966373
Molecular FormulaC10H7N3O
Molecular Weight185.19 g/mol
Exact Mass185.06
IUPAC Name2-pyridin-2-ylpyrimidine-4-carbaldehyde
SMILESO=Cc1ccnc(-c2ccccn2)n1
InChIInChI=1S/C10H7N3O/c14-7-8-4-6-12-10(13-8)9-3-1-2-5-11-9/h1-7H
InChIKeyBGBLDQHLXNRTCU-UHFFFAOYSA-N
XLogP1.35
TPSA55.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.19
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-pyridin-2-ylpyrimidine-4-carbaldehyde?
The IUPAC name of 2-pyridin-2-ylpyrimidine-4-carbaldehyde (CID 18966373) is 2-pyridin-2-ylpyrimidine-4-carbaldehyde.
What is the SMILES notation for 2-pyridin-2-ylpyrimidine-4-carbaldehyde?
The canonical SMILES for 2-pyridin-2-ylpyrimidine-4-carbaldehyde is O=Cc1ccnc(-c2ccccn2)n1.
What is the InChIKey of 2-pyridin-2-ylpyrimidine-4-carbaldehyde?
The InChIKey is BGBLDQHLXNRTCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N3O/c14-7-8-4-6-12-10(13-8)9-3-1-2-5-11-9/h1-7H.
What are the key properties of 2-pyridin-2-ylpyrimidine-4-carbaldehyde?
2-pyridin-2-ylpyrimidine-4-carbaldehyde has a molecular weight of 185.19 g/mol, XLogP of 1.35, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-2-ylpyrimidine-4-carbaldehyde is sourced from PubChem (CID 18966373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).