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

C7H4ClF2NO2 — CID 130072655

IUPAC3-chloro-6-(difluoromethyl)-5-hydroxypyridine-2-carbaldehyde
SMILESO=Cc1nc(C(F)F)c(O)cc1Cl
InChIInChI=1S/C7H4ClF2NO2/c8-3-1-5(13)6(7(9)10)11-4(3)2-12/h1-2,7,13H
InChIKeyAQXPXQYNYLWINN-UHFFFAOYSA-N
MW207.56 g/mol
LogP2.19
Rot. Bonds2

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

3-chloro-6-(difluoromethyl)-5-hydroxypyridine-2-carbaldehyde (PubChem CID 130072655) has the molecular formula C7H4ClF2NO2 and a molecular weight of 207.56 g/mol. Its IUPAC name is 3-chloro-6-(difluoromethyl)-5-hydroxypyridine-2-carbaldehyde.

Molecular Properties

Compound Name3-chloro-6-(difluoromethyl)-5-hydroxypyridine-2-carbaldehyde
PubChem CID130072655
Molecular FormulaC7H4ClF2NO2
Molecular Weight207.56 g/mol
Exact Mass206.99
IUPAC Name3-chloro-6-(difluoromethyl)-5-hydroxypyridine-2-carbaldehyde
SMILESO=Cc1nc(C(F)F)c(O)cc1Cl
InChIInChI=1S/C7H4ClF2NO2/c8-3-1-5(13)6(7(9)10)11-4(3)2-12/h1-2,7,13H
InChIKeyAQXPXQYNYLWINN-UHFFFAOYSA-N
XLogP2.19
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.56
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(chloromethyl)-6-(difluoromethyl)-3-hydroxypyridine-2-carbaldehyde
CID 130085191
5-chloro-6-(difluoromethyl)-3-iodopyridine-2-carbaldehyde
CID 130073315
6-(difluoromethyl)-3,5-difluoropyridine-2-carbaldehyde
CID 130099862
4-chloro-6-(difluoromethyl)-3-fluoropyridine-2-carbaldehyde
CID 118839466
3-(chloromethyl)-6-(difluoromethyl)-5-methylpyridine-2-carbaldehyde
CID 130090489
5-amino-3-bromo-6-(difluoromethyl)pyridine-2-carbaldehyde
CID 130102093
6-(difluoromethyl)-3-fluoro-5-methylpyridine-2-carbaldehyde
CID 130081136
5-amino-3-(chloromethyl)-6-(difluoromethyl)pyridine-2-carbaldehyde
CID 130107550
4-chloro-6-(difluoromethyl)-3-(trifluoromethyl)pyridine-2-carbaldehyde
CID 118850698
3-chloro-4-(chloromethyl)-6-(difluoromethyl)pyridine-2-carbaldehyde
CID 130075614
6-chloro-5-(difluoromethyl)-3-(trifluoromethyl)pyridine-2-carbaldehyde
CID 119007645
5-(difluoromethyl)-3-hydroxy-6-iodopyridine-2-carbaldehyde
CID 130082840

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-(difluoromethyl)-5-hydroxypyridine-2-carbaldehyde?
The IUPAC name of 3-chloro-6-(difluoromethyl)-5-hydroxypyridine-2-carbaldehyde (CID 130072655) is 3-chloro-6-(difluoromethyl)-5-hydroxypyridine-2-carbaldehyde.
What is the SMILES notation for 3-chloro-6-(difluoromethyl)-5-hydroxypyridine-2-carbaldehyde?
The canonical SMILES for 3-chloro-6-(difluoromethyl)-5-hydroxypyridine-2-carbaldehyde is O=Cc1nc(C(F)F)c(O)cc1Cl.
What is the InChIKey of 3-chloro-6-(difluoromethyl)-5-hydroxypyridine-2-carbaldehyde?
The InChIKey is AQXPXQYNYLWINN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClF2NO2/c8-3-1-5(13)6(7(9)10)11-4(3)2-12/h1-2,7,13H.
What are the key properties of 3-chloro-6-(difluoromethyl)-5-hydroxypyridine-2-carbaldehyde?
3-chloro-6-(difluoromethyl)-5-hydroxypyridine-2-carbaldehyde has a molecular weight of 207.56 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-(difluoromethyl)-5-hydroxypyridine-2-carbaldehyde is sourced from PubChem (CID 130072655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).