6-(2-fluoroethoxy)pyrimidine-4-carbaldehyde

C7H7FN2O2 — CID 166101084

IUPAC6-(2-fluoroethoxy)pyrimidine-4-carbaldehyde
SMILESO=Cc1cc(OCCF)ncn1
InChIInChI=1S/C7H7FN2O2/c8-1-2-12-7-3-6(4-11)9-5-10-7/h3-5H,1-2H2
InChIKeyPJUDZSDIVFGHNX-UHFFFAOYSA-N
MW170.14 g/mol
LogP0.64
Rot. Bonds4

About 6-(2-fluoroethoxy)pyrimidine-4-carbaldehyde

6-(2-fluoroethoxy)pyrimidine-4-carbaldehyde (PubChem CID 166101084) has the molecular formula C7H7FN2O2 and a molecular weight of 170.14 g/mol. Its IUPAC name is 6-(2-fluoroethoxy)pyrimidine-4-carbaldehyde.

Molecular Properties

Compound Name6-(2-fluoroethoxy)pyrimidine-4-carbaldehyde
PubChem CID166101084
Molecular FormulaC7H7FN2O2
Molecular Weight170.14 g/mol
Exact Mass170.05
IUPAC Name6-(2-fluoroethoxy)pyrimidine-4-carbaldehyde
SMILESO=Cc1cc(OCCF)ncn1
InChIInChI=1S/C7H7FN2O2/c8-1-2-12-7-3-6(4-11)9-5-10-7/h3-5H,1-2H2
InChIKeyPJUDZSDIVFGHNX-UHFFFAOYSA-N
XLogP0.64
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.14
LogP ≤ 50.64
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

2,6-Dimethoxy-4-pyrimidinecarboxaldehyde
CID 11105743
6-Methoxypyrimidine-4-carbaldehyde
CID 83478989
6-Ethoxypyrimidine-4-carbaldehyde
CID 83872553
6-ethoxy-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide
CID 91816289
4-Methyl-6-(2,2,2-trifluoroethoxy)pyrimidine
CID 21349937
4-[6-(Trifluoromethyl)pyrimidin-4-yl]oxybutanal
CID 59527210
4-(2-Fluoroethoxy)-6-methylpyrimidine
CID 117985505
Methyl 6-(difluoromethoxy)pyrimidine-4-carboxylate
CID 161698620
6-(2-Fluoroethoxy)pyrimidine-4-carboxylic acid
CID 166038660
2,2-Difluoro-1-[6-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]ethanone
CID 172563172
6-(3,3-difluorocyclobutyl)oxy-N-methoxy-N-methylpyrimidine-4-carboxamide
CID 172563176
N-methoxy-N-methyl-6-(2,2,2-trifluoroethoxy)pyrimidine-4-carboxamide
CID 172563277

Frequently Asked Questions

What is the IUPAC name of 6-(2-fluoroethoxy)pyrimidine-4-carbaldehyde?
The IUPAC name of 6-(2-fluoroethoxy)pyrimidine-4-carbaldehyde (CID 166101084) is 6-(2-fluoroethoxy)pyrimidine-4-carbaldehyde.
What is the SMILES notation for 6-(2-fluoroethoxy)pyrimidine-4-carbaldehyde?
The canonical SMILES for 6-(2-fluoroethoxy)pyrimidine-4-carbaldehyde is O=Cc1cc(OCCF)ncn1.
What is the InChIKey of 6-(2-fluoroethoxy)pyrimidine-4-carbaldehyde?
The InChIKey is PJUDZSDIVFGHNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7FN2O2/c8-1-2-12-7-3-6(4-11)9-5-10-7/h3-5H,1-2H2.
What are the key properties of 6-(2-fluoroethoxy)pyrimidine-4-carbaldehyde?
6-(2-fluoroethoxy)pyrimidine-4-carbaldehyde has a molecular weight of 170.14 g/mol, XLogP of 0.64, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluoroethoxy)pyrimidine-4-carbaldehyde is sourced from PubChem (CID 166101084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).