2-[(2-fluorophenyl)methyl]pyrimidine-4-carbaldehyde

C12H9FN2O — CID 62748248

IUPAC2-[(2-fluorophenyl)methyl]pyrimidine-4-carbaldehyde
SMILESO=Cc1ccnc(Cc2ccccc2F)n1
InChIInChI=1S/C12H9FN2O/c13-11-4-2-1-3-9(11)7-12-14-6-5-10(8-16)15-12/h1-6,8H,7H2
InChIKeyWNGXJMCGNDNGBS-UHFFFAOYSA-N
MW216.22 g/mol
LogP2.02
Rot. Bonds3

About 2-[(2-fluorophenyl)methyl]pyrimidine-4-carbaldehyde

2-[(2-fluorophenyl)methyl]pyrimidine-4-carbaldehyde (PubChem CID 62748248) has the molecular formula C12H9FN2O and a molecular weight of 216.22 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)methyl]pyrimidine-4-carbaldehyde.

Molecular Properties

Compound Name2-[(2-fluorophenyl)methyl]pyrimidine-4-carbaldehyde
PubChem CID62748248
Molecular FormulaC12H9FN2O
Molecular Weight216.22 g/mol
Exact Mass216.07
IUPAC Name2-[(2-fluorophenyl)methyl]pyrimidine-4-carbaldehyde
SMILESO=Cc1ccnc(Cc2ccccc2F)n1
InChIInChI=1S/C12H9FN2O/c13-11-4-2-1-3-9(11)7-12-14-6-5-10(8-16)15-12/h1-6,8H,7H2
InChIKeyWNGXJMCGNDNGBS-UHFFFAOYSA-N
XLogP2.02
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.22
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-fluorophenyl)methyl]-6-methylpyrimidine-4-carbaldehyde
CID 55114856
2-bromo-4-[(2-fluorophenyl)methyl]pyrimidine
CID 117224480
2-(phenoxymethyl)pyrimidine-4-carbaldehyde
CID 62747722
5-[(2-fluorophenyl)methyl]-1,2-oxazole-3-carbaldehyde
CID 131430211
4-[(2-fluorophenyl)methyl]pyridine
CID 23294432
5-bromo-2-[(2-fluorophenyl)methyl]pyrimidin-4-amine
CID 66301820
2-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-7-carbaldehyde
CID 115003601
5-fluoro-2-[(2-fluorophenyl)methyl]-6-methylpyrimidin-4-amine
CID 66000568
(1S)-1-[2-[(2-fluorophenyl)methyl]-4-methylpyrimidin-5-yl]ethanol
CID 103431425
[4-ethyl-2-[(2-fluorophenyl)methyl]pyrimidin-5-yl]methanamine
CID 114206046
N-[[2-[(2-fluorophenyl)methyl]pyrimidin-5-yl]methyl]ethanamine
CID 55113400
2-[(2-fluorophenyl)methyl]-5-(2-methylpropanoyl)pyrimidine-4-carboxylic acid
CID 82170437

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)methyl]pyrimidine-4-carbaldehyde?
The IUPAC name of 2-[(2-fluorophenyl)methyl]pyrimidine-4-carbaldehyde (CID 62748248) is 2-[(2-fluorophenyl)methyl]pyrimidine-4-carbaldehyde.
What is the SMILES notation for 2-[(2-fluorophenyl)methyl]pyrimidine-4-carbaldehyde?
The canonical SMILES for 2-[(2-fluorophenyl)methyl]pyrimidine-4-carbaldehyde is O=Cc1ccnc(Cc2ccccc2F)n1.
What is the InChIKey of 2-[(2-fluorophenyl)methyl]pyrimidine-4-carbaldehyde?
The InChIKey is WNGXJMCGNDNGBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN2O/c13-11-4-2-1-3-9(11)7-12-14-6-5-10(8-16)15-12/h1-6,8H,7H2.
What are the key properties of 2-[(2-fluorophenyl)methyl]pyrimidine-4-carbaldehyde?
2-[(2-fluorophenyl)methyl]pyrimidine-4-carbaldehyde has a molecular weight of 216.22 g/mol, XLogP of 2.02, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)methyl]pyrimidine-4-carbaldehyde is sourced from PubChem (CID 62748248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).