2-(3,5-difluoro-2-pyridinyl)-2-methylpropanal

C9H9F2NO — CID 164562723

IUPAC2-(3,5-difluoro-2-pyridinyl)-2-methylpropanal
SMILESCC(C)(C=O)c1ncc(F)cc1F
InChIInChI=1S/C9H9F2NO/c1-9(2,5-13)8-7(11)3-6(10)4-12-8/h3-5H,1-2H3
InChIKeyWSVDNDXVGQTVOK-UHFFFAOYSA-N
MW185.17 g/mol
LogP1.84
Rot. Bonds2

About 2-(3,5-difluoro-2-pyridinyl)-2-methylpropanal

2-(3,5-difluoro-2-pyridinyl)-2-methylpropanal (PubChem CID 164562723) has the molecular formula C9H9F2NO and a molecular weight of 185.17 g/mol. Its IUPAC name is 2-(3,5-difluoro-2-pyridinyl)-2-methylpropanal.

Molecular Properties

Compound Name2-(3,5-difluoro-2-pyridinyl)-2-methylpropanal
PubChem CID164562723
Molecular FormulaC9H9F2NO
Molecular Weight185.17 g/mol
Exact Mass185.07
IUPAC Name2-(3,5-difluoro-2-pyridinyl)-2-methylpropanal
SMILESCC(C)(C=O)c1ncc(F)cc1F
InChIInChI=1S/C9H9F2NO/c1-9(2,5-13)8-7(11)3-6(10)4-12-8/h3-5H,1-2H3
InChIKeyWSVDNDXVGQTVOK-UHFFFAOYSA-N
XLogP1.84
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.17
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(3,5-difluoro-2-pyridinyl)-2-methylpropanal with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-amino-2-(3,5-difluoro-2-pyridinyl)propan-1-ol
CID 130742500
2-(3,5-difluoro-2-pyridinyl)-2-methylbutanoic acid
CID 130545054
3-bromo-2-(1,1-difluoroethyl)-5-fluoropyridine
CID 155463702
2-(4-fluoro-3-methylphenyl)-2-methylpropanal
CID 83683621
5-fluoro-2,3-bis(trifluoromethyl)pyridine
CID 133094693
CID 155712415
CID 155712415
5-fluoro-2,3-dimethylpyridine
CID 45079981
tert-butyl N-[6-[2-(3,5-difluoro-2-pyridinyl)-2-methylpropanoyl]-3-pyridinyl]carbamate
CID 164562642
tert-butyl-(5-fluoro-3-methyl-2-pyridinyl)tin
CID 163210077
2-tert-butyl-3-fluoro-5-(2-iodopropan-2-yl)pyridine
CID 155296746
3-fluoro-5-methyl-2-(trifluoromethyl)pyridine
CID 23568437
3-chloro-5-fluoro-2-(trifluoromethyl)pyridine
CID 122706973

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluoro-2-pyridinyl)-2-methylpropanal?
The IUPAC name of 2-(3,5-difluoro-2-pyridinyl)-2-methylpropanal (CID 164562723) is 2-(3,5-difluoro-2-pyridinyl)-2-methylpropanal.
What is the SMILES notation for 2-(3,5-difluoro-2-pyridinyl)-2-methylpropanal?
The canonical SMILES for 2-(3,5-difluoro-2-pyridinyl)-2-methylpropanal is CC(C)(C=O)c1ncc(F)cc1F.
What is the InChIKey of 2-(3,5-difluoro-2-pyridinyl)-2-methylpropanal?
The InChIKey is WSVDNDXVGQTVOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2NO/c1-9(2,5-13)8-7(11)3-6(10)4-12-8/h3-5H,1-2H3.
What are the key properties of 2-(3,5-difluoro-2-pyridinyl)-2-methylpropanal?
2-(3,5-difluoro-2-pyridinyl)-2-methylpropanal has a molecular weight of 185.17 g/mol, XLogP of 1.84, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-difluoro-2-pyridinyl)-2-methylpropanal is sourced from PubChem (CID 164562723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).