4-(difluoromethyl)-3-hydroxy-5-methoxypyridine-2-carbonyl chloride

C8H6ClF2NO3 — CID 118845809

IUPAC4-(difluoromethyl)-3-hydroxy-5-methoxypyridine-2-carbonyl chloride
SMILESCOc1cnc(C(=O)Cl)c(O)c1C(F)F
InChIInChI=1S/C8H6ClF2NO3/c1-15-3-2-12-5(7(9)14)6(13)4(3)8(10)11/h2,8,13H,1H3
InChIKeyHPAKXRQXZLLQML-UHFFFAOYSA-N
MW237.59 g/mol
LogP2.11
Rot. Bonds3

About 4-(difluoromethyl)-3-hydroxy-5-methoxypyridine-2-carbonyl chloride

4-(difluoromethyl)-3-hydroxy-5-methoxypyridine-2-carbonyl chloride (PubChem CID 118845809) has the molecular formula C8H6ClF2NO3 and a molecular weight of 237.59 g/mol. Its IUPAC name is 4-(difluoromethyl)-3-hydroxy-5-methoxypyridine-2-carbonyl chloride.

Molecular Properties

Compound Name4-(difluoromethyl)-3-hydroxy-5-methoxypyridine-2-carbonyl chloride
PubChem CID118845809
Molecular FormulaC8H6ClF2NO3
Molecular Weight237.59 g/mol
Exact Mass237.00
IUPAC Name4-(difluoromethyl)-3-hydroxy-5-methoxypyridine-2-carbonyl chloride
SMILESCOc1cnc(C(=O)Cl)c(O)c1C(F)F
InChIInChI=1S/C8H6ClF2NO3/c1-15-3-2-12-5(7(9)14)6(13)4(3)8(10)11/h2,8,13H,1H3
InChIKeyHPAKXRQXZLLQML-UHFFFAOYSA-N
XLogP2.11
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.59
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-(difluoromethyl)-3-hydroxy-5-methoxypyridine-2-carboxylate
CID 133103469
4-(difluoromethyl)-5-methoxy-3-methylpyridine-2-carbonyl chloride
CID 118806978
4-amino-3-(difluoromethyl)-5-methoxypyridine-2-carbonyl chloride
CID 118812031
5-amino-4-(difluoromethyl)-3-hydroxypyridine-2-carbonyl chloride
CID 130105021
3-(difluoromethyl)-4-methoxypyridine-2-carbonyl chloride
CID 130097501
4-(difluoromethyl)-2-(hydroxymethyl)-5-methoxypyridin-3-ol
CID 118835243
3-(difluoromethyl)-2-fluoro-5-methoxypyridine-4-carbonyl chloride
CID 133105178
4-(difluoromethyl)-3-fluoro-5-methoxypyridine-2-carboxamide
CID 118852090
4-(difluoromethyl)-3-iodo-5-methoxypyridine-2-carboxamide
CID 118835097
4-bromo-5-(difluoromethyl)-3-hydroxypyridine-2-carbonyl chloride
CID 118845560
ethyl 4-(difluoromethyl)-3-iodo-5-methoxypyridine-2-carboxylate
CID 133102055
methyl 4-(difluoromethyl)-2,5-dimethoxypyridine-3-carboxylate
CID 134684678

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-3-hydroxy-5-methoxypyridine-2-carbonyl chloride?
The IUPAC name of 4-(difluoromethyl)-3-hydroxy-5-methoxypyridine-2-carbonyl chloride (CID 118845809) is 4-(difluoromethyl)-3-hydroxy-5-methoxypyridine-2-carbonyl chloride.
What is the SMILES notation for 4-(difluoromethyl)-3-hydroxy-5-methoxypyridine-2-carbonyl chloride?
The canonical SMILES for 4-(difluoromethyl)-3-hydroxy-5-methoxypyridine-2-carbonyl chloride is COc1cnc(C(=O)Cl)c(O)c1C(F)F.
What is the InChIKey of 4-(difluoromethyl)-3-hydroxy-5-methoxypyridine-2-carbonyl chloride?
The InChIKey is HPAKXRQXZLLQML-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClF2NO3/c1-15-3-2-12-5(7(9)14)6(13)4(3)8(10)11/h2,8,13H,1H3.
What are the key properties of 4-(difluoromethyl)-3-hydroxy-5-methoxypyridine-2-carbonyl chloride?
4-(difluoromethyl)-3-hydroxy-5-methoxypyridine-2-carbonyl chloride has a molecular weight of 237.59 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-3-hydroxy-5-methoxypyridine-2-carbonyl chloride is sourced from PubChem (CID 118845809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).