5-(chloromethyl)-6-(difluoromethyl)-3-hydroxypyridine-2-carbaldehyde

C8H6ClF2NO2 — CID 130085191

IUPAC5-(chloromethyl)-6-(difluoromethyl)-3-hydroxypyridine-2-carbaldehyde
SMILESO=Cc1nc(C(F)F)c(CCl)cc1O
InChIInChI=1S/C8H6ClF2NO2/c9-2-4-1-6(14)5(3-13)12-7(4)8(10)11/h1,3,8,14H,2H2
InChIKeyLMZFRFJLEFJCKS-UHFFFAOYSA-N
MW221.59 g/mol
LogP2.28
Rot. Bonds3

About 5-(chloromethyl)-6-(difluoromethyl)-3-hydroxypyridine-2-carbaldehyde

5-(chloromethyl)-6-(difluoromethyl)-3-hydroxypyridine-2-carbaldehyde (PubChem CID 130085191) has the molecular formula C8H6ClF2NO2 and a molecular weight of 221.59 g/mol. Its IUPAC name is 5-(chloromethyl)-6-(difluoromethyl)-3-hydroxypyridine-2-carbaldehyde.

Molecular Properties

Compound Name5-(chloromethyl)-6-(difluoromethyl)-3-hydroxypyridine-2-carbaldehyde
PubChem CID130085191
Molecular FormulaC8H6ClF2NO2
Molecular Weight221.59 g/mol
Exact Mass221.01
IUPAC Name5-(chloromethyl)-6-(difluoromethyl)-3-hydroxypyridine-2-carbaldehyde
SMILESO=Cc1nc(C(F)F)c(CCl)cc1O
InChIInChI=1S/C8H6ClF2NO2/c9-2-4-1-6(14)5(3-13)12-7(4)8(10)11/h1,3,8,14H,2H2
InChIKeyLMZFRFJLEFJCKS-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

2-chloro-5-(chloromethyl)-6-(difluoromethyl)pyridin-3-ol
CID 119019383
3-(chloromethyl)-6-(difluoromethyl)-5-methylpyridine-2-carbaldehyde
CID 130090489
5-amino-3-(chloromethyl)-6-(difluoromethyl)pyridine-2-carbaldehyde
CID 130107550
3-chloro-6-(difluoromethyl)-5-hydroxypyridine-2-carbaldehyde
CID 130072655
2-chloro-5-(chloromethyl)-6-(difluoromethyl)pyridine-3-carbaldehyde
CID 130075601
3-chloro-4-(chloromethyl)-6-(difluoromethyl)pyridine-2-carbaldehyde
CID 130075614
4-(chloromethyl)-6-(difluoromethyl)-3-fluoropyridine-2-carbaldehyde
CID 130082275
3-amino-4-(chloromethyl)-6-(difluoromethyl)pyridine-2-carbaldehyde
CID 130107547
6-bromo-3-(chloromethyl)-5-(difluoromethyl)pyridine-2-carbaldehyde
CID 118990917
5-(difluoromethyl)-3-hydroxy-6-iodopyridine-2-carbaldehyde
CID 130082840
5-(chloromethyl)-3-(difluoromethyl)-6-iodopyridine-2-carbaldehyde
CID 130087526
6-(difluoromethyl)-3-fluoro-5-methylpyridine-2-carbaldehyde
CID 130081136

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-6-(difluoromethyl)-3-hydroxypyridine-2-carbaldehyde?
The IUPAC name of 5-(chloromethyl)-6-(difluoromethyl)-3-hydroxypyridine-2-carbaldehyde (CID 130085191) is 5-(chloromethyl)-6-(difluoromethyl)-3-hydroxypyridine-2-carbaldehyde.
What is the SMILES notation for 5-(chloromethyl)-6-(difluoromethyl)-3-hydroxypyridine-2-carbaldehyde?
The canonical SMILES for 5-(chloromethyl)-6-(difluoromethyl)-3-hydroxypyridine-2-carbaldehyde is O=Cc1nc(C(F)F)c(CCl)cc1O.
What is the InChIKey of 5-(chloromethyl)-6-(difluoromethyl)-3-hydroxypyridine-2-carbaldehyde?
The InChIKey is LMZFRFJLEFJCKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClF2NO2/c9-2-4-1-6(14)5(3-13)12-7(4)8(10)11/h1,3,8,14H,2H2.
What are the key properties of 5-(chloromethyl)-6-(difluoromethyl)-3-hydroxypyridine-2-carbaldehyde?
5-(chloromethyl)-6-(difluoromethyl)-3-hydroxypyridine-2-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 5-(chloromethyl)-6-(difluoromethyl)-3-hydroxypyridine-2-carbaldehyde is sourced from PubChem (CID 130085191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).