5-amino-6-bromo-2-(difluoromethyl)pyridin-3-ol

C6H5BrF2N2O — CID 130101693

IUPAC5-amino-6-bromo-2-(difluoromethyl)pyridin-3-ol
SMILESNc1cc(O)c(C(F)F)nc1Br
InChIInChI=1S/C6H5BrF2N2O/c7-5-2(10)1-3(12)4(11-5)6(8)9/h1,6,12H,10H2
InChIKeyPHFJHKVTGHHFLE-UHFFFAOYSA-N
MW239.02 g/mol
LogP2.07
Rot. Bonds1

About 5-amino-6-bromo-2-(difluoromethyl)pyridin-3-ol

5-amino-6-bromo-2-(difluoromethyl)pyridin-3-ol (PubChem CID 130101693) has the molecular formula C6H5BrF2N2O and a molecular weight of 239.02 g/mol. Its IUPAC name is 5-amino-6-bromo-2-(difluoromethyl)pyridin-3-ol.

Molecular Properties

Compound Name5-amino-6-bromo-2-(difluoromethyl)pyridin-3-ol
PubChem CID130101693
Molecular FormulaC6H5BrF2N2O
Molecular Weight239.02 g/mol
Exact Mass237.96
IUPAC Name5-amino-6-bromo-2-(difluoromethyl)pyridin-3-ol
SMILESNc1cc(O)c(C(F)F)nc1Br
InChIInChI=1S/C6H5BrF2N2O/c7-5-2(10)1-3(12)4(11-5)6(8)9/h1,6,12H,10H2
InChIKeyPHFJHKVTGHHFLE-UHFFFAOYSA-N
XLogP2.07
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.02
LogP ≤ 52.07
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-bromo-6-(difluoromethyl)pyridine-3,5-diol
CID 119008806
6-bromo-2-(difluoromethyl)-5-methylpyridin-3-ol
CID 119007846
5-amino-6-bromo-2-(difluoromethyl)pyridine-3-sulfonamide
CID 130102347
2,5-dibromo-6-(difluoromethyl)pyridin-3-ol
CID 130098897
2-[3-amino-6-(difluoromethyl)-5-hydroxy-2-pyridinyl]acetic acid
CID 133093449
ethyl 2-bromo-6-(difluoromethyl)-5-hydroxypyridine-3-carboxylate
CID 134684348
ethyl 2-[2-bromo-6-(difluoromethyl)-5-hydroxy-3-pyridinyl]acetate
CID 134684377
6-bromo-3-(difluoromethyl)pyridine-2,5-diamine
CID 119017284
6-amino-2-(difluoromethyl)-5-methoxypyridin-3-ol
CID 119007455
ethyl 3-bromo-6-(difluoromethyl)-5-hydroxypyridine-2-carboxylate
CID 134670794
6-(difluoromethyl)-5-hydroxy-2-methylpyridine-3-carboxamide
CID 118837404
6-(aminomethyl)-2-(difluoromethyl)-5-iodopyridin-3-ol
CID 118848322

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-bromo-2-(difluoromethyl)pyridin-3-ol?
The IUPAC name of 5-amino-6-bromo-2-(difluoromethyl)pyridin-3-ol (CID 130101693) is 5-amino-6-bromo-2-(difluoromethyl)pyridin-3-ol.
What is the SMILES notation for 5-amino-6-bromo-2-(difluoromethyl)pyridin-3-ol?
The canonical SMILES for 5-amino-6-bromo-2-(difluoromethyl)pyridin-3-ol is Nc1cc(O)c(C(F)F)nc1Br.
What is the InChIKey of 5-amino-6-bromo-2-(difluoromethyl)pyridin-3-ol?
The InChIKey is PHFJHKVTGHHFLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5BrF2N2O/c7-5-2(10)1-3(12)4(11-5)6(8)9/h1,6,12H,10H2.
What are the key properties of 5-amino-6-bromo-2-(difluoromethyl)pyridin-3-ol?
5-amino-6-bromo-2-(difluoromethyl)pyridin-3-ol has a molecular weight of 239.02 g/mol, XLogP of 2.07, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-bromo-2-(difluoromethyl)pyridin-3-ol is sourced from PubChem (CID 130101693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).