5,6-diamino-2-(difluoromethyl)pyridin-3-ol

C6H7F2N3O — CID 118849029

IUPAC5,6-diamino-2-(difluoromethyl)pyridin-3-ol
SMILESNc1cc(O)c(C(F)F)nc1N
InChIInChI=1S/C6H7F2N3O/c7-5(8)4-3(12)1-2(9)6(10)11-4/h1,5,12H,9H2,(H2,10,11)
InChIKeyXHOSUDHYFQHNEG-UHFFFAOYSA-N
MW175.14 g/mol
LogP0.89
Rot. Bonds1

About 5,6-diamino-2-(difluoromethyl)pyridin-3-ol

5,6-diamino-2-(difluoromethyl)pyridin-3-ol (PubChem CID 118849029) has the molecular formula C6H7F2N3O and a molecular weight of 175.14 g/mol. Its IUPAC name is 5,6-diamino-2-(difluoromethyl)pyridin-3-ol.

Molecular Properties

Compound Name5,6-diamino-2-(difluoromethyl)pyridin-3-ol
PubChem CID118849029
Molecular FormulaC6H7F2N3O
Molecular Weight175.14 g/mol
Exact Mass175.06
IUPAC Name5,6-diamino-2-(difluoromethyl)pyridin-3-ol
SMILESNc1cc(O)c(C(F)F)nc1N
InChIInChI=1S/C6H7F2N3O/c7-5(8)4-3(12)1-2(9)6(10)11-4/h1,5,12H,9H2,(H2,10,11)
InChIKeyXHOSUDHYFQHNEG-UHFFFAOYSA-N
XLogP0.89
TPSA85.16 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.14
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-Amino-6-methylpyridin-3-ol
CID 88500
5,6-Diaminopyridin-3-ol
CID 67350083
2,6-Diamino-5-hydroxy-3-(phenylazo)pyridine
CID 135173
2-Amino-6-(trifluoromethyl)pyridin-3-ol
CID 21533197
2-Amino-5-fluoro-6-methylpyridin-3-ol
CID 21533200
6-Amino-2-(trifluoromethyl)pyridin-3-ol
CID 90403328
2-Amino-6-fluoropyridin-3-ol
CID 118996988
6-Nitro-2-(trifluoromethyl)pyridin-3-ol
CID 130838654
6-Amino-2-[1-(4-fluoroanilino)ethenyl]pyridin-3-ol
CID 138653404
6-Amino-2,5-difluoropyridin-3-ol
CID 142393307
2,6-Diamino-5-phenyldiazenylpyridin-3-ol;2,2,2-trifluoroacetic acid
CID 156115396
2-(Dimethylamino)-6-(trifluoromethyl)pyridin-3-ol
CID 176754823

Frequently Asked Questions

What is the IUPAC name of 5,6-diamino-2-(difluoromethyl)pyridin-3-ol?
The IUPAC name of 5,6-diamino-2-(difluoromethyl)pyridin-3-ol (CID 118849029) is 5,6-diamino-2-(difluoromethyl)pyridin-3-ol.
What is the SMILES notation for 5,6-diamino-2-(difluoromethyl)pyridin-3-ol?
The canonical SMILES for 5,6-diamino-2-(difluoromethyl)pyridin-3-ol is Nc1cc(O)c(C(F)F)nc1N.
What is the InChIKey of 5,6-diamino-2-(difluoromethyl)pyridin-3-ol?
The InChIKey is XHOSUDHYFQHNEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F2N3O/c7-5(8)4-3(12)1-2(9)6(10)11-4/h1,5,12H,9H2,(H2,10,11).
What are the key properties of 5,6-diamino-2-(difluoromethyl)pyridin-3-ol?
5,6-diamino-2-(difluoromethyl)pyridin-3-ol has a molecular weight of 175.14 g/mol, XLogP of 0.89, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diamino-2-(difluoromethyl)pyridin-3-ol is sourced from PubChem (CID 118849029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).