1-(6-chloro-5-fluoropyrimidin-4-yl)piperidine-4-carbaldehyde

C10H11ClFN3O — CID 153366942

IUPAC1-(6-chloro-5-fluoropyrimidin-4-yl)piperidine-4-carbaldehyde
SMILESO=CC1CCN(c2ncnc(Cl)c2F)CC1
InChIInChI=1S/C10H11ClFN3O/c11-9-8(12)10(14-6-13-9)15-3-1-7(5-16)2-4-15/h5-7H,1-4H2
InChIKeyWIFDOPXXHCEXTI-UHFFFAOYSA-N
MW243.67 g/mol
LogP1.68
Rot. Bonds2

About 1-(6-chloro-5-fluoropyrimidin-4-yl)piperidine-4-carbaldehyde

1-(6-chloro-5-fluoropyrimidin-4-yl)piperidine-4-carbaldehyde (PubChem CID 153366942) has the molecular formula C10H11ClFN3O and a molecular weight of 243.67 g/mol. Its IUPAC name is 1-(6-chloro-5-fluoropyrimidin-4-yl)piperidine-4-carbaldehyde.

Molecular Properties

Compound Name1-(6-chloro-5-fluoropyrimidin-4-yl)piperidine-4-carbaldehyde
PubChem CID153366942
Molecular FormulaC10H11ClFN3O
Molecular Weight243.67 g/mol
Exact Mass243.06
IUPAC Name1-(6-chloro-5-fluoropyrimidin-4-yl)piperidine-4-carbaldehyde
SMILESO=CC1CCN(c2ncnc(Cl)c2F)CC1
InChIInChI=1S/C10H11ClFN3O/c11-9-8(12)10(14-6-13-9)15-3-1-7(5-16)2-4-15/h5-7H,1-4H2
InChIKeyWIFDOPXXHCEXTI-UHFFFAOYSA-N
XLogP1.68
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.67
LogP ≤ 51.68
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

1-(3,5-difluoro-2-pyridinyl)piperidine-4-carbaldehyde
CID 112676509
1-(3-methyl-[1,2]thiazolo[5,4-d]pyrimidin-4-yl)piperidine-4-carbaldehyde
CID 114203358
1-(3,6-dimethylpyrazin-2-yl)piperidine-4-carbaldehyde
CID 65419285
1-(6-chloro-5-formylpyrimidin-4-yl)piperidine-4-carboxamide
CID 66336044
1-(3-methyl-2-pyridinyl)piperidine-4-carbaldehyde
CID 62663790
4-chloro-5-methyl-6-(4-propan-2-ylpiperidin-1-yl)pyrimidine
CID 103500926
1-(6-nitroquinazolin-4-yl)piperidine-4-carbaldehyde
CID 64588886
ethyl 3-[4-(6-chloro-5-fluoropyrimidin-4-yl)piperazin-1-yl]propanoate
CID 125483093
4-amino-1-(6-chloro-5-fluoropyrimidin-4-yl)pyrrolidin-2-one
CID 168700907
1-(2-chlorophenyl)piperidine-4-carbaldehyde
CID 143235350
1-(1-methylimidazo[4,5-c]pyridin-4-yl)piperidine-4-carbaldehyde
CID 103386359
2-[1-(6-chloro-5-methylpyrimidin-4-yl)piperidin-4-yl]oxyethanol
CID 82691796

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-5-fluoropyrimidin-4-yl)piperidine-4-carbaldehyde?
The IUPAC name of 1-(6-chloro-5-fluoropyrimidin-4-yl)piperidine-4-carbaldehyde (CID 153366942) is 1-(6-chloro-5-fluoropyrimidin-4-yl)piperidine-4-carbaldehyde.
What is the SMILES notation for 1-(6-chloro-5-fluoropyrimidin-4-yl)piperidine-4-carbaldehyde?
The canonical SMILES for 1-(6-chloro-5-fluoropyrimidin-4-yl)piperidine-4-carbaldehyde is O=CC1CCN(c2ncnc(Cl)c2F)CC1.
What is the InChIKey of 1-(6-chloro-5-fluoropyrimidin-4-yl)piperidine-4-carbaldehyde?
The InChIKey is WIFDOPXXHCEXTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClFN3O/c11-9-8(12)10(14-6-13-9)15-3-1-7(5-16)2-4-15/h5-7H,1-4H2.
What are the key properties of 1-(6-chloro-5-fluoropyrimidin-4-yl)piperidine-4-carbaldehyde?
1-(6-chloro-5-fluoropyrimidin-4-yl)piperidine-4-carbaldehyde has a molecular weight of 243.67 g/mol, XLogP of 1.68, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-5-fluoropyrimidin-4-yl)piperidine-4-carbaldehyde is sourced from PubChem (CID 153366942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).