4,6-dichloro-2-fluoropyrimidine-5-carbaldehyde

C5HCl2FN2O — CID 88764492

IUPAC4,6-dichloro-2-fluoropyrimidine-5-carbaldehyde
SMILESO=Cc1c(Cl)nc(F)nc1Cl
InChIInChI=1S/C5HCl2FN2O/c6-3-2(1-11)4(7)10-5(8)9-3/h1H
InChIKeyMPOHRKADNOZJJH-UHFFFAOYSA-N
MW194.98 g/mol
LogP1.74
Rot. Bonds1

About 4,6-dichloro-2-fluoropyrimidine-5-carbaldehyde

4,6-dichloro-2-fluoropyrimidine-5-carbaldehyde (PubChem CID 88764492) has the molecular formula C5HCl2FN2O and a molecular weight of 194.98 g/mol. Its IUPAC name is 4,6-dichloro-2-fluoropyrimidine-5-carbaldehyde.

Molecular Properties

Compound Name4,6-dichloro-2-fluoropyrimidine-5-carbaldehyde
PubChem CID88764492
Molecular FormulaC5HCl2FN2O
Molecular Weight194.98 g/mol
Exact Mass193.94
IUPAC Name4,6-dichloro-2-fluoropyrimidine-5-carbaldehyde
SMILESO=Cc1c(Cl)nc(F)nc1Cl
InChIInChI=1S/C5HCl2FN2O/c6-3-2(1-11)4(7)10-5(8)9-3/h1H
InChIKeyMPOHRKADNOZJJH-UHFFFAOYSA-N
XLogP1.74
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.98
LogP ≤ 51.74
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-Amino-4,6-dichloropyrimidine-5-carboxaldehyde
CID 265546
4,6-Dichloro-5-pyrimidinecarbaldehyde
CID 819691
2,4,6-Trichloro-5-pyrimidinecarboxaldehyde
CID 10932746
5-Pyrimidinecarboxaldehyde, 4-amino-6-chloro-
CID 84230
4,6-Dichloro-2-(methylsulfanyl)pyrimidine-5-carbaldehyde
CID 4614004
4,6-Dichloro-2-methylpyrimidine-5-carbaldehyde
CID 23035630
4,6-Dichloro-2-(pyrrolidin-1-yl)pyrimidine-5-carbaldehyde
CID 53485882
4-Amino-2,6-dichloropyrimidine-5-carbaldehyde
CID 45790851
2,4,6-Trichloropyrimidine-5-carbonyl fluoride
CID 20083942
4-Chloro-2,6-difluoropyrimidine-5-carbonyl fluoride
CID 20083958
4,6-Dichloro-2-fluoropyrimidine-5-carbonyl fluoride
CID 20083968
2,4-Dichloro-6-fluoropyrimidine-5-carbonyl fluoride
CID 20083983

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-2-fluoropyrimidine-5-carbaldehyde?
The IUPAC name of 4,6-dichloro-2-fluoropyrimidine-5-carbaldehyde (CID 88764492) is 4,6-dichloro-2-fluoropyrimidine-5-carbaldehyde.
What is the SMILES notation for 4,6-dichloro-2-fluoropyrimidine-5-carbaldehyde?
The canonical SMILES for 4,6-dichloro-2-fluoropyrimidine-5-carbaldehyde is O=Cc1c(Cl)nc(F)nc1Cl.
What is the InChIKey of 4,6-dichloro-2-fluoropyrimidine-5-carbaldehyde?
The InChIKey is MPOHRKADNOZJJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5HCl2FN2O/c6-3-2(1-11)4(7)10-5(8)9-3/h1H.
What are the key properties of 4,6-dichloro-2-fluoropyrimidine-5-carbaldehyde?
4,6-dichloro-2-fluoropyrimidine-5-carbaldehyde has a molecular weight of 194.98 g/mol, XLogP of 1.74, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-2-fluoropyrimidine-5-carbaldehyde is sourced from PubChem (CID 88764492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).