4-chloro-6-(3-fluoro-4-pyridinyl)pyrimidine-5-carbaldehyde

C10H5ClFN3O — CID 104739143

IUPAC4-chloro-6-(3-fluoro-4-pyridinyl)pyrimidine-5-carbaldehyde
SMILESO=Cc1c(Cl)ncnc1-c1ccncc1F
InChIInChI=1S/C10H5ClFN3O/c11-10-7(4-16)9(14-5-15-10)6-1-2-13-3-8(6)12/h1-5H
InChIKeyCJHVSQCXPVBGRI-UHFFFAOYSA-N
MW237.62 g/mol
LogP2.14
Rot. Bonds2

About 4-chloro-6-(3-fluoro-4-pyridinyl)pyrimidine-5-carbaldehyde

4-chloro-6-(3-fluoro-4-pyridinyl)pyrimidine-5-carbaldehyde (PubChem CID 104739143) has the molecular formula C10H5ClFN3O and a molecular weight of 237.62 g/mol. Its IUPAC name is 4-chloro-6-(3-fluoro-4-pyridinyl)pyrimidine-5-carbaldehyde.

Molecular Properties

Compound Name4-chloro-6-(3-fluoro-4-pyridinyl)pyrimidine-5-carbaldehyde
PubChem CID104739143
Molecular FormulaC10H5ClFN3O
Molecular Weight237.62 g/mol
Exact Mass237.01
IUPAC Name4-chloro-6-(3-fluoro-4-pyridinyl)pyrimidine-5-carbaldehyde
SMILESO=Cc1c(Cl)ncnc1-c1ccncc1F
InChIInChI=1S/C10H5ClFN3O/c11-10-7(4-16)9(14-5-15-10)6-1-2-13-3-8(6)12/h1-5H
InChIKeyCJHVSQCXPVBGRI-UHFFFAOYSA-N
XLogP2.14
TPSA55.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.62
LogP ≤ 52.14
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

4-chloro-6-pyrimidin-5-ylpyrimidine-5-carbaldehyde
CID 79072664
4-chloro-6-pyridin-2-ylpyrimidine-5-carbaldehyde
CID 79078535
4-chloro-6-(3-fluorophenyl)pyrimidine-5-carbaldehyde
CID 79072758
3-chloro-4-(3-fluoro-4-pyridinyl)-1,2,5-thiadiazole
CID 104739168
6-(3-fluoro-4-pyridinyl)-5-propylpyrimidin-4-amine
CID 104739267
4-chloro-6-[3-(trifluoromethoxy)phenyl]pyrimidine-5-carbaldehyde
CID 79079025
4-(3-bromo-2,4-dimethoxyphenyl)-6-chloropyrimidine-5-carbaldehyde
CID 103523979
4-chloro-6-(2,6-dimethoxyphenyl)pyrimidine-5-carbaldehyde
CID 116811180
3-(5-chloro-2-fluorophenyl)pyridine-4-carbaldehyde
CID 169447869
5-(3-fluoro-4-pyridinyl)furan-2-carbaldehyde
CID 103840994
3-fluoropyridine-4-carbaldehyde;hydrofluoride
CID 74891092
3-fluoro-4-(2,4,6-trichlorophenyl)pyridine
CID 133090356

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(3-fluoro-4-pyridinyl)pyrimidine-5-carbaldehyde?
The IUPAC name of 4-chloro-6-(3-fluoro-4-pyridinyl)pyrimidine-5-carbaldehyde (CID 104739143) is 4-chloro-6-(3-fluoro-4-pyridinyl)pyrimidine-5-carbaldehyde.
What is the SMILES notation for 4-chloro-6-(3-fluoro-4-pyridinyl)pyrimidine-5-carbaldehyde?
The canonical SMILES for 4-chloro-6-(3-fluoro-4-pyridinyl)pyrimidine-5-carbaldehyde is O=Cc1c(Cl)ncnc1-c1ccncc1F.
What is the InChIKey of 4-chloro-6-(3-fluoro-4-pyridinyl)pyrimidine-5-carbaldehyde?
The InChIKey is CJHVSQCXPVBGRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5ClFN3O/c11-10-7(4-16)9(14-5-15-10)6-1-2-13-3-8(6)12/h1-5H.
What are the key properties of 4-chloro-6-(3-fluoro-4-pyridinyl)pyrimidine-5-carbaldehyde?
4-chloro-6-(3-fluoro-4-pyridinyl)pyrimidine-5-carbaldehyde has a molecular weight of 237.62 g/mol, XLogP of 2.14, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(3-fluoro-4-pyridinyl)pyrimidine-5-carbaldehyde is sourced from PubChem (CID 104739143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).