6-(chloromethyl)-2-(difluoromethyl)-3-hydroxypyridine-4-carboxylic acid

C8H6ClF2NO3 — CID 130085231

IUPAC6-(chloromethyl)-2-(difluoromethyl)-3-hydroxypyridine-4-carboxylic acid
SMILESO=C(O)c1cc(CCl)nc(C(F)F)c1O
InChIInChI=1S/C8H6ClF2NO3/c9-2-3-1-4(8(14)15)6(13)5(12-3)7(10)11/h1,7,13H,2H2,(H,14,15)
InChIKeyKFNWQZDWXWGTFL-UHFFFAOYSA-N
MW237.59 g/mol
LogP2.16
Rot. Bonds3

About 6-(chloromethyl)-2-(difluoromethyl)-3-hydroxypyridine-4-carboxylic acid

6-(chloromethyl)-2-(difluoromethyl)-3-hydroxypyridine-4-carboxylic acid (PubChem CID 130085231) has the molecular formula C8H6ClF2NO3 and a molecular weight of 237.59 g/mol. Its IUPAC name is 6-(chloromethyl)-2-(difluoromethyl)-3-hydroxypyridine-4-carboxylic acid.

Molecular Properties

Compound Name6-(chloromethyl)-2-(difluoromethyl)-3-hydroxypyridine-4-carboxylic acid
PubChem CID130085231
Molecular FormulaC8H6ClF2NO3
Molecular Weight237.59 g/mol
Exact Mass237.00
IUPAC Name6-(chloromethyl)-2-(difluoromethyl)-3-hydroxypyridine-4-carboxylic acid
SMILESO=C(O)c1cc(CCl)nc(C(F)F)c1O
InChIInChI=1S/C8H6ClF2NO3/c9-2-3-1-4(8(14)15)6(13)5(12-3)7(10)11/h1,7,13H,2H2,(H,14,15)
InChIKeyKFNWQZDWXWGTFL-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-cyano-2-(difluoromethyl)-3-hydroxypyridine-4-carboxylic acid
CID 130076877
2-[3-bromo-6-(chloromethyl)-2-(difluoromethyl)-4-pyridinyl]acetic acid
CID 130070813
2-(difluoromethyl)-3-hydroxy-6-nitropyridine-4-carboxylic acid
CID 118831588
6-(chloromethyl)-4-cyano-2-(difluoromethyl)pyridine-3-carboxylic acid
CID 130079169
4-(chloromethyl)-2-(difluoromethyl)-6-(hydroxymethyl)pyridin-3-ol
CID 130085164
2-chloro-5-(chloromethyl)-6-(difluoromethyl)pyridine-3-carboxylic acid
CID 118996818
5-(chloromethyl)-6-(difluoromethyl)-2-methylpyridine-3-carboxylic acid
CID 130090507
4-(chloromethyl)-6-(difluoromethyl)-5-hydroxypyridine-3-carboxylic acid
CID 130085250
2-[6-(chloromethyl)-2-(difluoromethyl)-3-(trifluoromethoxy)-4-pyridinyl]acetic acid
CID 134671824
2-[6-(chloromethyl)-4-cyano-2-(difluoromethyl)-3-pyridinyl]acetic acid
CID 133106509
[3-chloro-6-(chloromethyl)-2-(difluoromethyl)-4-pyridinyl]methanol
CID 130075594
2-[4-bromo-6-(difluoromethyl)-5-hydroxy-2-pyridinyl]acetic acid
CID 118800091

Frequently Asked Questions

What is the IUPAC name of 6-(chloromethyl)-2-(difluoromethyl)-3-hydroxypyridine-4-carboxylic acid?
The IUPAC name of 6-(chloromethyl)-2-(difluoromethyl)-3-hydroxypyridine-4-carboxylic acid (CID 130085231) is 6-(chloromethyl)-2-(difluoromethyl)-3-hydroxypyridine-4-carboxylic acid.
What is the SMILES notation for 6-(chloromethyl)-2-(difluoromethyl)-3-hydroxypyridine-4-carboxylic acid?
The canonical SMILES for 6-(chloromethyl)-2-(difluoromethyl)-3-hydroxypyridine-4-carboxylic acid is O=C(O)c1cc(CCl)nc(C(F)F)c1O.
What is the InChIKey of 6-(chloromethyl)-2-(difluoromethyl)-3-hydroxypyridine-4-carboxylic acid?
The InChIKey is KFNWQZDWXWGTFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClF2NO3/c9-2-3-1-4(8(14)15)6(13)5(12-3)7(10)11/h1,7,13H,2H2,(H,14,15).
What are the key properties of 6-(chloromethyl)-2-(difluoromethyl)-3-hydroxypyridine-4-carboxylic acid?
6-(chloromethyl)-2-(difluoromethyl)-3-hydroxypyridine-4-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 6-(chloromethyl)-2-(difluoromethyl)-3-hydroxypyridine-4-carboxylic acid is sourced from PubChem (CID 130085231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).