[6-(difluoromethyl)-4-fluoro-3-nitro-2-pyridinyl]methanol

C7H5F3N2O3 — CID 133104599

IUPAC[6-(difluoromethyl)-4-fluoro-3-nitro-2-pyridinyl]methanol
SMILESO=[N+]([O-])c1c(F)cc(C(F)F)nc1CO
InChIInChI=1S/C7H5F3N2O3/c8-3-1-4(7(9)10)11-5(2-13)6(3)12(14)15/h1,7,13H,2H2
InChIKeyXAELOCXCESOYCI-UHFFFAOYSA-N
MW222.12 g/mol
LogP1.56
Rot. Bonds3

About [6-(difluoromethyl)-4-fluoro-3-nitro-2-pyridinyl]methanol

[6-(difluoromethyl)-4-fluoro-3-nitro-2-pyridinyl]methanol (PubChem CID 133104599) has the molecular formula C7H5F3N2O3 and a molecular weight of 222.12 g/mol. Its IUPAC name is [6-(difluoromethyl)-4-fluoro-3-nitro-2-pyridinyl]methanol.

Molecular Properties

Compound Name[6-(difluoromethyl)-4-fluoro-3-nitro-2-pyridinyl]methanol
PubChem CID133104599
Molecular FormulaC7H5F3N2O3
Molecular Weight222.12 g/mol
Exact Mass222.03
IUPAC Name[6-(difluoromethyl)-4-fluoro-3-nitro-2-pyridinyl]methanol
SMILESO=[N+]([O-])c1c(F)cc(C(F)F)nc1CO
InChIInChI=1S/C7H5F3N2O3/c8-3-1-4(7(9)10)11-5(2-13)6(3)12(14)15/h1,7,13H,2H2
InChIKeyXAELOCXCESOYCI-UHFFFAOYSA-N
XLogP1.56
TPSA76.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.12
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[6-(difluoromethyl)-4-fluoro-3-methyl-2-pyridinyl]methanol
CID 130081090
[6-chloro-4-(difluoromethyl)-3-nitro-2-pyridinyl]methanol
CID 130074775
[2-amino-6-(difluoromethyl)-4-nitro-3-pyridinyl]methanol
CID 119006327
2-(bromomethyl)-6-(difluoromethyl)-4-nitropyridin-3-ol
CID 118832789
methyl 2-[6-(difluoromethyl)-4-fluoro-2-nitro-3-pyridinyl]acetate
CID 133105138
2-bromo-6-(difluoromethyl)-3-nitropyridin-4-amine
CID 118834924
methyl 2-[6-(difluoromethyl)-3-hydroxy-4-nitro-2-pyridinyl]acetate
CID 133103089
6-(difluoromethyl)-3-(hydroxymethyl)-4-nitropyridine-2-carbonitrile
CID 130078685
2-(chloromethyl)-6-(difluoromethyl)-3-iodo-4-nitropyridine
CID 118838108
2-[6-(difluoromethyl)-3-methyl-4-nitro-2-pyridinyl]acetonitrile
CID 133099364
[3,4-diamino-6-(difluoromethyl)-2-pyridinyl]methanol
CID 130098756
[6-bromo-3-(difluoromethyl)-4-nitro-2-pyridinyl]methanol
CID 130069859

Frequently Asked Questions

What is the IUPAC name of [6-(difluoromethyl)-4-fluoro-3-nitro-2-pyridinyl]methanol?
The IUPAC name of [6-(difluoromethyl)-4-fluoro-3-nitro-2-pyridinyl]methanol (CID 133104599) is [6-(difluoromethyl)-4-fluoro-3-nitro-2-pyridinyl]methanol.
What is the SMILES notation for [6-(difluoromethyl)-4-fluoro-3-nitro-2-pyridinyl]methanol?
The canonical SMILES for [6-(difluoromethyl)-4-fluoro-3-nitro-2-pyridinyl]methanol is O=[N+]([O-])c1c(F)cc(C(F)F)nc1CO.
What is the InChIKey of [6-(difluoromethyl)-4-fluoro-3-nitro-2-pyridinyl]methanol?
The InChIKey is XAELOCXCESOYCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3N2O3/c8-3-1-4(7(9)10)11-5(2-13)6(3)12(14)15/h1,7,13H,2H2.
What are the key properties of [6-(difluoromethyl)-4-fluoro-3-nitro-2-pyridinyl]methanol?
[6-(difluoromethyl)-4-fluoro-3-nitro-2-pyridinyl]methanol has a molecular weight of 222.12 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(difluoromethyl)-4-fluoro-3-nitro-2-pyridinyl]methanol is sourced from PubChem (CID 133104599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).