2-(chloromethyl)-3-(difluoromethyl)-6-(trifluoromethyl)pyridine-4-carbaldehyde

C9H5ClF5NO — CID 118832698

IUPAC2-(chloromethyl)-3-(difluoromethyl)-6-(trifluoromethyl)pyridine-4-carbaldehyde
SMILESO=Cc1cc(C(F)(F)F)nc(CCl)c1C(F)F
InChIInChI=1S/C9H5ClF5NO/c10-2-5-7(8(11)12)4(3-17)1-6(16-5)9(13,14)15/h1,3,8H,2H2
InChIKeyIFALJEFGHWRYCU-UHFFFAOYSA-N
MW273.59 g/mol
LogP3.59
Rot. Bonds3

About 2-(chloromethyl)-3-(difluoromethyl)-6-(trifluoromethyl)pyridine-4-carbaldehyde

2-(chloromethyl)-3-(difluoromethyl)-6-(trifluoromethyl)pyridine-4-carbaldehyde (PubChem CID 118832698) has the molecular formula C9H5ClF5NO and a molecular weight of 273.59 g/mol. Its IUPAC name is 2-(chloromethyl)-3-(difluoromethyl)-6-(trifluoromethyl)pyridine-4-carbaldehyde.

Molecular Properties

Compound Name2-(chloromethyl)-3-(difluoromethyl)-6-(trifluoromethyl)pyridine-4-carbaldehyde
PubChem CID118832698
Molecular FormulaC9H5ClF5NO
Molecular Weight273.59 g/mol
Exact Mass273.00
IUPAC Name2-(chloromethyl)-3-(difluoromethyl)-6-(trifluoromethyl)pyridine-4-carbaldehyde
SMILESO=Cc1cc(C(F)(F)F)nc(CCl)c1C(F)F
InChIInChI=1S/C9H5ClF5NO/c10-2-5-7(8(11)12)4(3-17)1-6(16-5)9(13,14)15/h1,3,8H,2H2
InChIKeyIFALJEFGHWRYCU-UHFFFAOYSA-N
XLogP3.59
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.59
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[2-(chloromethyl)-3-(difluoromethyl)-6-(trifluoromethyl)-4-pyridinyl]methanol
CID 118843740
2-(chloromethyl)-3-(difluoromethyl)pyridine-4-carbaldehyde
CID 118849586
2-(difluoromethyl)-3-fluoro-6-(trifluoromethyl)pyridine-4-carbaldehyde
CID 118848647
4-(chloromethyl)-3-(difluoromethyl)-2-fluoro-6-(trifluoromethyl)pyridine
CID 130082138
2-[2-(chloromethyl)-4-(difluoromethyl)-6-(trifluoromethyl)-3-pyridinyl]acetic acid
CID 118843963
6-chloro-3-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-carbaldehyde
CID 130075823
6-(chloromethyl)-2-(difluoromethyl)-5-methylpyridine-3-carbaldehyde
CID 118821330
5-chloro-2-(difluoromethyl)benzene-1,3-dicarbaldehyde
CID 171007894
6-(aminomethyl)-5-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-carbaldehyde
CID 118819811
6-amino-5-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-carbaldehyde
CID 119008459
2-(chloromethyl)-6-(difluoromethyl)-5-iodo-3-(trifluoromethyl)pyridine
CID 118815578
2-(chloromethyl)-4-(difluoromethyl)-5-formylpyridine-3-carbonitrile
CID 130079122

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-3-(difluoromethyl)-6-(trifluoromethyl)pyridine-4-carbaldehyde?
The IUPAC name of 2-(chloromethyl)-3-(difluoromethyl)-6-(trifluoromethyl)pyridine-4-carbaldehyde (CID 118832698) is 2-(chloromethyl)-3-(difluoromethyl)-6-(trifluoromethyl)pyridine-4-carbaldehyde.
What is the SMILES notation for 2-(chloromethyl)-3-(difluoromethyl)-6-(trifluoromethyl)pyridine-4-carbaldehyde?
The canonical SMILES for 2-(chloromethyl)-3-(difluoromethyl)-6-(trifluoromethyl)pyridine-4-carbaldehyde is O=Cc1cc(C(F)(F)F)nc(CCl)c1C(F)F.
What is the InChIKey of 2-(chloromethyl)-3-(difluoromethyl)-6-(trifluoromethyl)pyridine-4-carbaldehyde?
The InChIKey is IFALJEFGHWRYCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5ClF5NO/c10-2-5-7(8(11)12)4(3-17)1-6(16-5)9(13,14)15/h1,3,8H,2H2.
What are the key properties of 2-(chloromethyl)-3-(difluoromethyl)-6-(trifluoromethyl)pyridine-4-carbaldehyde?
2-(chloromethyl)-3-(difluoromethyl)-6-(trifluoromethyl)pyridine-4-carbaldehyde has a molecular weight of 273.59 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-3-(difluoromethyl)-6-(trifluoromethyl)pyridine-4-carbaldehyde is sourced from PubChem (CID 118832698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).