[6-(difluoromethyl)-4-nitro-5-(trifluoromethyl)-2-pyridinyl]methanol

C8H5F5N2O3 — CID 118803499

IUPAC[6-(difluoromethyl)-4-nitro-5-(trifluoromethyl)-2-pyridinyl]methanol
SMILESO=[N+]([O-])c1cc(CO)nc(C(F)F)c1C(F)(F)F
InChIInChI=1S/C8H5F5N2O3/c9-7(10)6-5(8(11,12)13)4(15(17)18)1-3(2-16)14-6/h1,7,16H,2H2
InChIKeyLXMGJTMWGBLOCI-UHFFFAOYSA-N
MW272.13 g/mol
LogP2.44
Rot. Bonds3

About [6-(difluoromethyl)-4-nitro-5-(trifluoromethyl)-2-pyridinyl]methanol

[6-(difluoromethyl)-4-nitro-5-(trifluoromethyl)-2-pyridinyl]methanol (PubChem CID 118803499) has the molecular formula C8H5F5N2O3 and a molecular weight of 272.13 g/mol. Its IUPAC name is [6-(difluoromethyl)-4-nitro-5-(trifluoromethyl)-2-pyridinyl]methanol.

Molecular Properties

Compound Name[6-(difluoromethyl)-4-nitro-5-(trifluoromethyl)-2-pyridinyl]methanol
PubChem CID118803499
Molecular FormulaC8H5F5N2O3
Molecular Weight272.13 g/mol
Exact Mass272.02
IUPAC Name[6-(difluoromethyl)-4-nitro-5-(trifluoromethyl)-2-pyridinyl]methanol
SMILESO=[N+]([O-])c1cc(CO)nc(C(F)F)c1C(F)(F)F
InChIInChI=1S/C8H5F5N2O3/c9-7(10)6-5(8(11,12)13)4(15(17)18)1-3(2-16)14-6/h1,7,16H,2H2
InChIKeyLXMGJTMWGBLOCI-UHFFFAOYSA-N
XLogP2.44
TPSA76.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.13
LogP ≤ 52.44
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

2-[6-(difluoromethyl)-4-nitro-5-(trifluoromethyl)-2-pyridinyl]acetonitrile
CID 118826099
[6-(difluoromethyl)-5-methoxy-4-nitro-2-pyridinyl]methanol
CID 118803393
[6-(difluoromethyl)-5-nitro-3-(trifluoromethyl)-2-pyridinyl]methanol
CID 118803451
[5-(difluoromethyl)-4-nitro-6-(trifluoromethoxy)-2-pyridinyl]methanol
CID 134682904
[5-methyl-3-nitro-2-(trifluoromethyl)phenyl]methanol
CID 131328449
[5-(difluoromethyl)-4-nitro-2-pyridinyl]methanol
CID 130097958
6-(difluoromethyl)-5-nitro-2-(trifluoromethyl)pyridine-3-carbonitrile
CID 134675519
6-(difluoromethyl)-5-nitro-3-(trifluoromethyl)pyridine-2-carboxylic acid
CID 118854491
6-(difluoromethyl)-5-nitro-3-(trifluoromethyl)pyridine-2-carboxamide
CID 118831634
6-(chloromethyl)-2-(difluoromethyl)-3-iodo-4-nitropyridine
CID 130086595
[6-bromo-2-(difluoromethyl)-4-nitro-3-pyridinyl]methanol
CID 130069861
6-(difluoromethyl)-5-nitro-3-(trifluoromethyl)pyridine-2-carbaldehyde
CID 118820580

Frequently Asked Questions

What is the IUPAC name of [6-(difluoromethyl)-4-nitro-5-(trifluoromethyl)-2-pyridinyl]methanol?
The IUPAC name of [6-(difluoromethyl)-4-nitro-5-(trifluoromethyl)-2-pyridinyl]methanol (CID 118803499) is [6-(difluoromethyl)-4-nitro-5-(trifluoromethyl)-2-pyridinyl]methanol.
What is the SMILES notation for [6-(difluoromethyl)-4-nitro-5-(trifluoromethyl)-2-pyridinyl]methanol?
The canonical SMILES for [6-(difluoromethyl)-4-nitro-5-(trifluoromethyl)-2-pyridinyl]methanol is O=[N+]([O-])c1cc(CO)nc(C(F)F)c1C(F)(F)F.
What is the InChIKey of [6-(difluoromethyl)-4-nitro-5-(trifluoromethyl)-2-pyridinyl]methanol?
The InChIKey is LXMGJTMWGBLOCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F5N2O3/c9-7(10)6-5(8(11,12)13)4(15(17)18)1-3(2-16)14-6/h1,7,16H,2H2.
What are the key properties of [6-(difluoromethyl)-4-nitro-5-(trifluoromethyl)-2-pyridinyl]methanol?
[6-(difluoromethyl)-4-nitro-5-(trifluoromethyl)-2-pyridinyl]methanol has a molecular weight of 272.13 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(difluoromethyl)-4-nitro-5-(trifluoromethyl)-2-pyridinyl]methanol is sourced from PubChem (CID 118803499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).