5-amino-4-(difluoromethyl)-3-hydroxypyridine-2-carbonyl chloride

C7H5ClF2N2O2 — CID 130105021

IUPAC5-amino-4-(difluoromethyl)-3-hydroxypyridine-2-carbonyl chloride
SMILESNc1cnc(C(=O)Cl)c(O)c1C(F)F
InChIInChI=1S/C7H5ClF2N2O2/c8-6(14)4-5(13)3(7(9)10)2(11)1-12-4/h1,7,13H,11H2
InChIKeyUWDQUTFNSDZXMM-UHFFFAOYSA-N
MW222.58 g/mol
LogP1.69
Rot. Bonds2

About 5-amino-4-(difluoromethyl)-3-hydroxypyridine-2-carbonyl chloride

5-amino-4-(difluoromethyl)-3-hydroxypyridine-2-carbonyl chloride (PubChem CID 130105021) has the molecular formula C7H5ClF2N2O2 and a molecular weight of 222.58 g/mol. Its IUPAC name is 5-amino-4-(difluoromethyl)-3-hydroxypyridine-2-carbonyl chloride.

Molecular Properties

Compound Name5-amino-4-(difluoromethyl)-3-hydroxypyridine-2-carbonyl chloride
PubChem CID130105021
Molecular FormulaC7H5ClF2N2O2
Molecular Weight222.58 g/mol
Exact Mass222.00
IUPAC Name5-amino-4-(difluoromethyl)-3-hydroxypyridine-2-carbonyl chloride
SMILESNc1cnc(C(=O)Cl)c(O)c1C(F)F
InChIInChI=1S/C7H5ClF2N2O2/c8-6(14)4-5(13)3(7(9)10)2(11)1-12-4/h1,7,13H,11H2
InChIKeyUWDQUTFNSDZXMM-UHFFFAOYSA-N
XLogP1.69
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.58
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(difluoromethyl)-3-hydroxy-5-methoxypyridine-2-carbonyl chloride
CID 118845809
5-amino-4-(difluoromethyl)-2-fluoropyridine-3-carbonyl chloride
CID 130104371
5-amino-2-chloro-4-(difluoromethyl)pyridine-3-carbonyl chloride
CID 130103047
4-bromo-5-(difluoromethyl)-3-hydroxypyridine-2-carbonyl chloride
CID 118845560
5-amino-4-(difluoromethyl)-3-iodopyridine-2-carboxamide
CID 130105795
3-bromo-4-(difluoromethyl)-5-hydroxypyridine-2-carbonyl chloride
CID 130110573
4-amino-3-(difluoromethyl)-5-methoxypyridine-2-carbonyl chloride
CID 118812031
5-amino-3-(difluoromethyl)pyridine-2-carbonyl chloride
CID 130094918
5-amino-2-(bromomethyl)-4-(difluoromethyl)pyridin-3-ol
CID 130104710
5-bromo-3-chloro-4-(difluoromethyl)pyridine-2-carbonyl chloride
CID 130108425
3-amino-5-(difluoromethyl)-4-iodopyridine-2-carbonyl chloride
CID 130105680
4-amino-6-chloro-3-(difluoromethyl)pyridine-2-carbonyl chloride
CID 118799690

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(difluoromethyl)-3-hydroxypyridine-2-carbonyl chloride?
The IUPAC name of 5-amino-4-(difluoromethyl)-3-hydroxypyridine-2-carbonyl chloride (CID 130105021) is 5-amino-4-(difluoromethyl)-3-hydroxypyridine-2-carbonyl chloride.
What is the SMILES notation for 5-amino-4-(difluoromethyl)-3-hydroxypyridine-2-carbonyl chloride?
The canonical SMILES for 5-amino-4-(difluoromethyl)-3-hydroxypyridine-2-carbonyl chloride is Nc1cnc(C(=O)Cl)c(O)c1C(F)F.
What is the InChIKey of 5-amino-4-(difluoromethyl)-3-hydroxypyridine-2-carbonyl chloride?
The InChIKey is UWDQUTFNSDZXMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClF2N2O2/c8-6(14)4-5(13)3(7(9)10)2(11)1-12-4/h1,7,13H,11H2.
What are the key properties of 5-amino-4-(difluoromethyl)-3-hydroxypyridine-2-carbonyl chloride?
5-amino-4-(difluoromethyl)-3-hydroxypyridine-2-carbonyl chloride has a molecular weight of 222.58 g/mol, XLogP of 1.69, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(difluoromethyl)-3-hydroxypyridine-2-carbonyl chloride is sourced from PubChem (CID 130105021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).