4-(chloromethyl)-6-(difluoromethyl)-5-hydroxypyridine-3-carboxylic acid

C8H6ClF2NO3 — CID 130085250

IUPAC4-(chloromethyl)-6-(difluoromethyl)-5-hydroxypyridine-3-carboxylic acid
SMILESO=C(O)c1cnc(C(F)F)c(O)c1CCl
InChIInChI=1S/C8H6ClF2NO3/c9-1-3-4(8(14)15)2-12-5(6(3)13)7(10)11/h2,7,13H,1H2,(H,14,15)
InChIKeyVTKOQRVXKISFRY-UHFFFAOYSA-N
MW237.59 g/mol
LogP2.16
Rot. Bonds3

About 4-(chloromethyl)-6-(difluoromethyl)-5-hydroxypyridine-3-carboxylic acid

4-(chloromethyl)-6-(difluoromethyl)-5-hydroxypyridine-3-carboxylic acid (PubChem CID 130085250) has the molecular formula C8H6ClF2NO3 and a molecular weight of 237.59 g/mol. Its IUPAC name is 4-(chloromethyl)-6-(difluoromethyl)-5-hydroxypyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-(chloromethyl)-6-(difluoromethyl)-5-hydroxypyridine-3-carboxylic acid
PubChem CID130085250
Molecular FormulaC8H6ClF2NO3
Molecular Weight237.59 g/mol
Exact Mass237.00
IUPAC Name4-(chloromethyl)-6-(difluoromethyl)-5-hydroxypyridine-3-carboxylic acid
SMILESO=C(O)c1cnc(C(F)F)c(O)c1CCl
InChIInChI=1S/C8H6ClF2NO3/c9-1-3-4(8(14)15)2-12-5(6(3)13)7(10)11/h2,7,13H,1H2,(H,14,15)
InChIKeyVTKOQRVXKISFRY-UHFFFAOYSA-N
XLogP2.16
TPSA70.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.59
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-amino-4-(chloromethyl)-5-(difluoromethyl)pyridine-3-carboxylic acid
CID 130107574
ethyl 2-[4-(chloromethyl)-6-(difluoromethyl)-5-hydroxy-3-pyridinyl]acetate
CID 133101951
3-(chloromethyl)-2-(difluoromethyl)-5-iodopyridine-4-carboxylic acid
CID 130087556
6-(chloromethyl)-2-(difluoromethyl)-3-hydroxypyridine-4-carboxylic acid
CID 130085231
2-[3-(chloromethyl)-2-(difluoromethyl)-5-fluoro-4-pyridinyl]acetic acid
CID 130082407
methyl 4-(chloromethyl)-6-(difluoromethyl)-5-iodopyridine-3-carboxylate
CID 130087629
2-[2-(difluoromethyl)-3-hydroxy-5-(trifluoromethyl)-4-pyridinyl]acetic acid
CID 118809162
2-[5-amino-3-(chloromethyl)-2-(difluoromethyl)-4-pyridinyl]acetic acid
CID 130107704
5-(bromomethyl)-6-(difluoromethyl)-4-iodopyridine-3-carboxylic acid
CID 130087220
ethyl 5-chloro-4-(chloromethyl)-6-(difluoromethyl)pyridine-3-carboxylate
CID 134674227
4-(chloromethyl)-6-(difluoromethyl)-5-iodopyridin-3-ol
CID 130082698
4-bromo-5-(chloromethyl)-2-(difluoromethyl)pyridin-3-ol
CID 130110275

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-6-(difluoromethyl)-5-hydroxypyridine-3-carboxylic acid?
The IUPAC name of 4-(chloromethyl)-6-(difluoromethyl)-5-hydroxypyridine-3-carboxylic acid (CID 130085250) is 4-(chloromethyl)-6-(difluoromethyl)-5-hydroxypyridine-3-carboxylic acid.
What is the SMILES notation for 4-(chloromethyl)-6-(difluoromethyl)-5-hydroxypyridine-3-carboxylic acid?
The canonical SMILES for 4-(chloromethyl)-6-(difluoromethyl)-5-hydroxypyridine-3-carboxylic acid is O=C(O)c1cnc(C(F)F)c(O)c1CCl.
What is the InChIKey of 4-(chloromethyl)-6-(difluoromethyl)-5-hydroxypyridine-3-carboxylic acid?
The InChIKey is VTKOQRVXKISFRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClF2NO3/c9-1-3-4(8(14)15)2-12-5(6(3)13)7(10)11/h2,7,13H,1H2,(H,14,15).
What are the key properties of 4-(chloromethyl)-6-(difluoromethyl)-5-hydroxypyridine-3-carboxylic acid?
4-(chloromethyl)-6-(difluoromethyl)-5-hydroxypyridine-3-carboxylic acid has a molecular weight of 237.59 g/mol, XLogP of 2.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-6-(difluoromethyl)-5-hydroxypyridine-3-carboxylic acid is sourced from PubChem (CID 130085250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).