2-amino-5-(difluoromethyl)-6-fluoropyridin-3-ol

C6H5F3N2O — CID 119007659

IUPAC2-amino-5-(difluoromethyl)-6-fluoropyridin-3-ol
SMILESNc1nc(F)c(C(F)F)cc1O
InChIInChI=1S/C6H5F3N2O/c7-4(8)2-1-3(12)6(10)11-5(2)9/h1,4,12H,(H2,10,11)
InChIKeyXWRBQGQRXNYCOO-UHFFFAOYSA-N
MW178.11 g/mol
LogP1.45
Rot. Bonds1

About 2-amino-5-(difluoromethyl)-6-fluoropyridin-3-ol

2-amino-5-(difluoromethyl)-6-fluoropyridin-3-ol (PubChem CID 119007659) has the molecular formula C6H5F3N2O and a molecular weight of 178.11 g/mol. Its IUPAC name is 2-amino-5-(difluoromethyl)-6-fluoropyridin-3-ol.

Molecular Properties

Compound Name2-amino-5-(difluoromethyl)-6-fluoropyridin-3-ol
PubChem CID119007659
Molecular FormulaC6H5F3N2O
Molecular Weight178.11 g/mol
Exact Mass178.04
IUPAC Name2-amino-5-(difluoromethyl)-6-fluoropyridin-3-ol
SMILESNc1nc(F)c(C(F)F)cc1O
InChIInChI=1S/C6H5F3N2O/c7-4(8)2-1-3(12)6(10)11-5(2)9/h1,4,12H,(H2,10,11)
InChIKeyXWRBQGQRXNYCOO-UHFFFAOYSA-N
XLogP1.45
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.11
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-amino-5-(difluoromethyl)-6-methylpyridin-3-ol
CID 118997422
3-bromo-5-(difluoromethyl)-6-fluoropyridin-2-amine
CID 118999087
5-(difluoromethyl)-6-fluoro-3-hydroxypyridine-2-carbonyl chloride
CID 130079740
6-amino-5-(difluoromethyl)-2-fluoropyridine-3-carbonyl chloride
CID 130104341
6-amino-5-(difluoromethyl)-2-(trifluoromethyl)pyridin-3-ol
CID 119021073
5-(difluoromethyl)-3,6-difluoropyridine-2-carboxamide
CID 119003203
5-chloro-3-(difluoromethyl)-6-fluoropyridine-2-carboxamide
CID 130072214
[2-(aminomethyl)-5-(difluoromethyl)-6-fluoro-3-pyridinyl]methanol
CID 130081622
2-[5-(difluoromethyl)-2,6-difluoro-3-pyridinyl]acetic acid
CID 119000090
6-amino-5-(difluoromethyl)pyridin-3-ol
CID 118996069
6-chloro-4-(difluoromethyl)-2-fluoropyridin-3-amine
CID 130102458
2-[2-(aminomethyl)-5-(difluoromethyl)-6-fluoro-3-pyridinyl]acetic acid
CID 118836900

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(difluoromethyl)-6-fluoropyridin-3-ol?
The IUPAC name of 2-amino-5-(difluoromethyl)-6-fluoropyridin-3-ol (CID 119007659) is 2-amino-5-(difluoromethyl)-6-fluoropyridin-3-ol.
What is the SMILES notation for 2-amino-5-(difluoromethyl)-6-fluoropyridin-3-ol?
The canonical SMILES for 2-amino-5-(difluoromethyl)-6-fluoropyridin-3-ol is Nc1nc(F)c(C(F)F)cc1O.
What is the InChIKey of 2-amino-5-(difluoromethyl)-6-fluoropyridin-3-ol?
The InChIKey is XWRBQGQRXNYCOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F3N2O/c7-4(8)2-1-3(12)6(10)11-5(2)9/h1,4,12H,(H2,10,11).
What are the key properties of 2-amino-5-(difluoromethyl)-6-fluoropyridin-3-ol?
2-amino-5-(difluoromethyl)-6-fluoropyridin-3-ol has a molecular weight of 178.11 g/mol, XLogP of 1.45, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(difluoromethyl)-6-fluoropyridin-3-ol is sourced from PubChem (CID 119007659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).