2-phenyl-6-pyridin-2-ylpyrimidine-4-carbaldehyde

C16H11N3O — CID 71446198

IUPAC2-phenyl-6-pyridin-2-ylpyrimidine-4-carbaldehyde
SMILESO=Cc1cc(-c2ccccn2)nc(-c2ccccc2)n1
InChIInChI=1S/C16H11N3O/c20-11-13-10-15(14-8-4-5-9-17-14)19-16(18-13)12-6-2-1-3-7-12/h1-11H
InChIKeyWDRHZGFWFFYGJZ-UHFFFAOYSA-N
MW261.28 g/mol
LogP3.02
Rot. Bonds3

About 2-phenyl-6-pyridin-2-ylpyrimidine-4-carbaldehyde

2-phenyl-6-pyridin-2-ylpyrimidine-4-carbaldehyde (PubChem CID 71446198) has the molecular formula C16H11N3O and a molecular weight of 261.28 g/mol. Its IUPAC name is 2-phenyl-6-pyridin-2-ylpyrimidine-4-carbaldehyde.

Molecular Properties

Compound Name2-phenyl-6-pyridin-2-ylpyrimidine-4-carbaldehyde
PubChem CID71446198
Molecular FormulaC16H11N3O
Molecular Weight261.28 g/mol
Exact Mass261.09
IUPAC Name2-phenyl-6-pyridin-2-ylpyrimidine-4-carbaldehyde
SMILESO=Cc1cc(-c2ccccn2)nc(-c2ccccc2)n1
InChIInChI=1S/C16H11N3O/c20-11-13-10-15(14-8-4-5-9-17-14)19-16(18-13)12-6-2-1-3-7-12/h1-11H
InChIKeyWDRHZGFWFFYGJZ-UHFFFAOYSA-N
XLogP3.02
TPSA55.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,4-diphenyl-6-pyridin-2-ylpyrimidine
CID 126746872
2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 126730884
2-phenyl-4,6-bis(6-pyridin-2-yl-2-pyridinyl)-1,3,5-triazine
CID 59273782
2,4-diphenyl-6-[4-[2-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-4-pyridinyl]phenyl]-1,3,5-triazine
CID 164817157
2-[3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-5-pyridin-2-ylphenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 126730883
4-phenyl-2-[6-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]-6-pyridin-2-ylpyridine
CID 15788654
2-[6-[4-(3,5-diphenylphenyl)-6-pyridin-2-yl-2-pyridinyl]-3-pyridinyl]-4,6-diphenyl-1,3,5-triazine
CID 164817295
1-[4-(2-phenyl-6-pyridin-2-ylpyrimidin-4-yl)phenyl]ethanone
CID 164780913
2-[3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-5-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 126730905
2,4-diphenyl-6-[3-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]phenyl]pyrimidine
CID 164817029
2-phenyl-6-pyridin-2-yl-N-pyrimidin-2-ylpyrimidin-4-amine
CID 3411544
2-[2-[2-[6-(2,6-diphenylpyrimidin-4-yl)-2-pyridinyl]-6-pyridin-2-yl-4-pyridinyl]phenyl]-4,6-diphenylpyrimidine
CID 164816961

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-6-pyridin-2-ylpyrimidine-4-carbaldehyde?
The IUPAC name of 2-phenyl-6-pyridin-2-ylpyrimidine-4-carbaldehyde (CID 71446198) is 2-phenyl-6-pyridin-2-ylpyrimidine-4-carbaldehyde.
What is the SMILES notation for 2-phenyl-6-pyridin-2-ylpyrimidine-4-carbaldehyde?
The canonical SMILES for 2-phenyl-6-pyridin-2-ylpyrimidine-4-carbaldehyde is O=Cc1cc(-c2ccccn2)nc(-c2ccccc2)n1.
What is the InChIKey of 2-phenyl-6-pyridin-2-ylpyrimidine-4-carbaldehyde?
The InChIKey is WDRHZGFWFFYGJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3O/c20-11-13-10-15(14-8-4-5-9-17-14)19-16(18-13)12-6-2-1-3-7-12/h1-11H.
What are the key properties of 2-phenyl-6-pyridin-2-ylpyrimidine-4-carbaldehyde?
2-phenyl-6-pyridin-2-ylpyrimidine-4-carbaldehyde has a molecular weight of 261.28 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-6-pyridin-2-ylpyrimidine-4-carbaldehyde is sourced from PubChem (CID 71446198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).