2-(chloromethyl)-5-(difluoromethyl)-3-hydroxypyridine-4-carbaldehyde

C8H6ClF2NO2 — CID 118826812

IUPAC2-(chloromethyl)-5-(difluoromethyl)-3-hydroxypyridine-4-carbaldehyde
SMILESO=Cc1c(C(F)F)cnc(CCl)c1O
InChIInChI=1S/C8H6ClF2NO2/c9-1-6-7(14)5(3-13)4(2-12-6)8(10)11/h2-3,8,14H,1H2
InChIKeyOFMKWORNNDRHHV-UHFFFAOYSA-N
MW221.59 g/mol
LogP2.28
Rot. Bonds3

About 2-(chloromethyl)-5-(difluoromethyl)-3-hydroxypyridine-4-carbaldehyde

2-(chloromethyl)-5-(difluoromethyl)-3-hydroxypyridine-4-carbaldehyde (PubChem CID 118826812) has the molecular formula C8H6ClF2NO2 and a molecular weight of 221.59 g/mol. Its IUPAC name is 2-(chloromethyl)-5-(difluoromethyl)-3-hydroxypyridine-4-carbaldehyde.

Molecular Properties

Compound Name2-(chloromethyl)-5-(difluoromethyl)-3-hydroxypyridine-4-carbaldehyde
PubChem CID118826812
Molecular FormulaC8H6ClF2NO2
Molecular Weight221.59 g/mol
Exact Mass221.01
IUPAC Name2-(chloromethyl)-5-(difluoromethyl)-3-hydroxypyridine-4-carbaldehyde
SMILESO=Cc1c(C(F)F)cnc(CCl)c1O
InChIInChI=1S/C8H6ClF2NO2/c9-1-6-7(14)5(3-13)4(2-12-6)8(10)11/h2-3,8,14H,1H2
InChIKeyOFMKWORNNDRHHV-UHFFFAOYSA-N
XLogP2.28
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.59
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-2-(chloromethyl)-5-(difluoromethyl)pyridine-4-carbaldehyde
CID 130070631
2-(chloromethyl)-5-(difluoromethyl)-4-methylpyridin-3-ol
CID 118809945
5-(difluoromethyl)-3-hydroxy-2-(trifluoromethyl)pyridine-4-carbaldehyde
CID 130085432
5-(difluoromethyl)-4-formyl-3-hydroxypyridine-2-carbonitrile
CID 130076826
5-bromo-2-(chloromethyl)-4-(difluoromethyl)pyridine-3-carbaldehyde
CID 130070661
6-(chloromethyl)-5-(difluoromethyl)pyridine-3-carboxylic acid
CID 118838293
2-(chloromethyl)-3-(difluoromethyl)-5-methoxypyridine-4-carbaldehyde
CID 118815612
4-amino-2-(aminomethyl)-5-(difluoromethyl)pyridine-3-carbaldehyde
CID 118805849
3-(bromomethyl)-2-chloro-5-(difluoromethyl)pyridine-4-carbaldehyde
CID 130075264
3-(aminomethyl)-2-chloro-5-(difluoromethyl)pyridine-4-carbaldehyde
CID 130075030
2-chloro-5-(difluoromethyl)-3-iodopyridine-4-carbaldehyde
CID 119015773
3-bromo-2-chloro-5-(difluoromethyl)pyridine-4-carbaldehyde
CID 130108233

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-5-(difluoromethyl)-3-hydroxypyridine-4-carbaldehyde?
The IUPAC name of 2-(chloromethyl)-5-(difluoromethyl)-3-hydroxypyridine-4-carbaldehyde (CID 118826812) is 2-(chloromethyl)-5-(difluoromethyl)-3-hydroxypyridine-4-carbaldehyde.
What is the SMILES notation for 2-(chloromethyl)-5-(difluoromethyl)-3-hydroxypyridine-4-carbaldehyde?
The canonical SMILES for 2-(chloromethyl)-5-(difluoromethyl)-3-hydroxypyridine-4-carbaldehyde is O=Cc1c(C(F)F)cnc(CCl)c1O.
What is the InChIKey of 2-(chloromethyl)-5-(difluoromethyl)-3-hydroxypyridine-4-carbaldehyde?
The InChIKey is OFMKWORNNDRHHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClF2NO2/c9-1-6-7(14)5(3-13)4(2-12-6)8(10)11/h2-3,8,14H,1H2.
What are the key properties of 2-(chloromethyl)-5-(difluoromethyl)-3-hydroxypyridine-4-carbaldehyde?
2-(chloromethyl)-5-(difluoromethyl)-3-hydroxypyridine-4-carbaldehyde has a molecular weight of 221.59 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-5-(difluoromethyl)-3-hydroxypyridine-4-carbaldehyde is sourced from PubChem (CID 118826812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).