[2,6-diamino-5-(difluoromethyl)-3-pyridinyl]methanol

C7H9F2N3O — CID 119025183

IUPAC[2,6-diamino-5-(difluoromethyl)-3-pyridinyl]methanol
SMILESNc1nc(N)c(C(F)F)cc1CO
InChIInChI=1S/C7H9F2N3O/c8-5(9)4-1-3(2-13)6(10)12-7(4)11/h1,5,13H,2H2,(H4,10,11,12)
InChIKeyPPACYWWTZZPBPR-UHFFFAOYSA-N
MW189.17 g/mol
LogP0.68
Rot. Bonds2

About [2,6-diamino-5-(difluoromethyl)-3-pyridinyl]methanol

[2,6-diamino-5-(difluoromethyl)-3-pyridinyl]methanol (PubChem CID 119025183) has the molecular formula C7H9F2N3O and a molecular weight of 189.17 g/mol. Its IUPAC name is [2,6-diamino-5-(difluoromethyl)-3-pyridinyl]methanol.

Molecular Properties

Compound Name[2,6-diamino-5-(difluoromethyl)-3-pyridinyl]methanol
PubChem CID119025183
Molecular FormulaC7H9F2N3O
Molecular Weight189.17 g/mol
Exact Mass189.07
IUPAC Name[2,6-diamino-5-(difluoromethyl)-3-pyridinyl]methanol
SMILESNc1nc(N)c(C(F)F)cc1CO
InChIInChI=1S/C7H9F2N3O/c8-5(9)4-1-3(2-13)6(10)12-7(4)11/h1,5,13H,2H2,(H4,10,11,12)
InChIKeyPPACYWWTZZPBPR-UHFFFAOYSA-N
XLogP0.68
TPSA85.16 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.17
LogP ≤ 50.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

[2-amino-6-(difluoromethyl)-5-iodo-3-pyridinyl]methanol
CID 118993177
[2,6-dibromo-5-(difluoromethyl)-3-pyridinyl]methanol
CID 119006650
[2-(aminomethyl)-5-(difluoromethyl)-6-fluoro-3-pyridinyl]methanol
CID 130081622
[6-amino-4-(difluoromethyl)-3-pyridinyl]methanol
CID 119013180
[6-amino-5-(difluoromethyl)-3-(trifluoromethoxy)-2-pyridinyl]methanol
CID 119008282
[6-(aminomethyl)-5-(difluoromethyl)-2-methyl-3-pyridinyl]methanol
CID 118847964
6-amino-5-(difluoromethyl)-2-(trifluoromethyl)pyridin-3-ol
CID 119021073
2-[6-amino-5-(difluoromethyl)-2-iodo-3-pyridinyl]acetonitrile
CID 119021329
[6-amino-3-(difluoromethyl)-5-methyl-2-pyridinyl]methanol
CID 119018023
[6-amino-3-(difluoromethyl)-2-(trifluoromethyl)-4-pyridinyl]methanol
CID 130107727
methyl 2-[6-amino-5-(difluoromethyl)-2-methoxy-3-pyridinyl]acetate
CID 134684791
6-bromo-3-(difluoromethyl)pyridine-2,5-diamine
CID 119017284

Frequently Asked Questions

What is the IUPAC name of [2,6-diamino-5-(difluoromethyl)-3-pyridinyl]methanol?
The IUPAC name of [2,6-diamino-5-(difluoromethyl)-3-pyridinyl]methanol (CID 119025183) is [2,6-diamino-5-(difluoromethyl)-3-pyridinyl]methanol.
What is the SMILES notation for [2,6-diamino-5-(difluoromethyl)-3-pyridinyl]methanol?
The canonical SMILES for [2,6-diamino-5-(difluoromethyl)-3-pyridinyl]methanol is Nc1nc(N)c(C(F)F)cc1CO.
What is the InChIKey of [2,6-diamino-5-(difluoromethyl)-3-pyridinyl]methanol?
The InChIKey is PPACYWWTZZPBPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F2N3O/c8-5(9)4-1-3(2-13)6(10)12-7(4)11/h1,5,13H,2H2,(H4,10,11,12).
What are the key properties of [2,6-diamino-5-(difluoromethyl)-3-pyridinyl]methanol?
[2,6-diamino-5-(difluoromethyl)-3-pyridinyl]methanol has a molecular weight of 189.17 g/mol, XLogP of 0.68, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2,6-diamino-5-(difluoromethyl)-3-pyridinyl]methanol is sourced from PubChem (CID 119025183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).